USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.032) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.9!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.0019) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 80:sc= -1.31 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -72:sc= 1.7 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0133) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.23) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.187 USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0743) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.414 F(o=-1.3,f=-0.41) USER MOD Single : A 77 TYR OH : rot -130:sc= -1.9! USER MOD Single : A 82 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 84 THR OG1 : rot -110:sc= -1.17 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.362 F(o=-0.76,f=0.36) USER MOD Single : A 93 THR OG1 : rot 24:sc= -0.0138 USER MOD Single : A 95 SER OG : rot 180:sc= 0.00232 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 174:sc= -4.48! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 110 ASN : amide:sc= 0.0259 X(o=0.026,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -19:sc= -0.088 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.344 9.249 12.929 1.00 7.08 N ATOM 2 CA ASP A 1 -9.468 8.845 14.359 1.00 6.65 C ATOM 3 C ASP A 1 -8.564 7.643 14.652 1.00 5.96 C ATOM 4 O ASP A 1 -9.026 6.528 14.786 1.00 6.16 O ATOM 5 CB ASP A 1 -10.938 8.464 14.538 1.00 7.15 C ATOM 6 CG ASP A 1 -11.365 8.741 15.981 1.00 7.15 C ATOM 7 OD1 ASP A 1 -10.547 8.552 16.865 1.00 7.22 O ATOM 8 OD2 ASP A 1 -12.502 9.138 16.175 1.00 7.37 O ATOM 0 H1 ASP A 1 -9.962 10.065 12.744 1.00 7.08 H new ATOM 0 H2 ASP A 1 -8.358 9.509 12.726 1.00 7.08 H new ATOM 0 H3 ASP A 1 -9.626 8.456 12.318 1.00 7.08 H new ATOM 0 HA ASP A 1 -9.167 9.642 15.039 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -11.559 9.035 13.848 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -11.083 7.410 14.301 1.00 7.15 H new ATOM 15 N ALA A 2 -7.282 7.863 14.753 1.00 5.41 N ATOM 16 CA ALA A 2 -6.348 6.734 15.041 1.00 4.78 C ATOM 17 C ALA A 2 -6.556 5.594 14.033 1.00 3.77 C ATOM 18 O ALA A 2 -7.451 4.788 14.191 1.00 3.42 O ATOM 19 CB ALA A 2 -6.710 6.273 16.452 1.00 5.00 C ATOM 0 H ALA A 2 -6.839 8.776 14.649 1.00 5.41 H new ATOM 0 HA ALA A 2 -5.303 7.035 14.963 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -6.066 5.442 16.740 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -6.572 7.098 17.151 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -7.751 5.950 16.473 1.00 5.00 H new ATOM 25 N PRO A 3 -5.721 5.562 13.022 1.00 3.56 N ATOM 26 CA PRO A 3 -5.831 4.505 11.987 1.00 2.78 C ATOM 27 C PRO A 3 -5.258 3.186 12.513 1.00 2.04 C ATOM 28 O PRO A 3 -4.242 3.164 13.179 1.00 2.31 O ATOM 29 CB PRO A 3 -4.985 5.040 10.838 1.00 3.38 C ATOM 30 CG PRO A 3 -3.996 5.968 11.475 1.00 4.09 C ATOM 31 CD PRO A 3 -4.615 6.490 12.748 1.00 4.30 C ATOM 0 HA PRO A 3 -6.860 4.298 11.693 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -4.481 4.230 10.310 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -5.601 5.563 10.106 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -3.063 5.446 11.689 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -3.754 6.790 10.802 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -3.894 6.501 13.565 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -4.974 7.512 12.626 1.00 4.30 H new ATOM 39 N GLU A 4 -5.897 2.085 12.223 1.00 1.37 N ATOM 40 CA GLU A 4 -5.374 0.776 12.711 1.00 1.14 C ATOM 41 C GLU A 4 -3.921 0.596 12.268 1.00 0.89 C ATOM 42 O GLU A 4 -3.504 1.110 11.249 1.00 1.30 O ATOM 43 CB GLU A 4 -6.270 -0.284 12.067 1.00 1.67 C ATOM 44 CG GLU A 4 -6.334 -1.511 12.978 1.00 2.39 C ATOM 45 CD GLU A 4 -5.144 -1.501 13.938 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.064 -1.884 13.518 1.00 3.05 O ATOM 47 OE2 GLU A 4 -5.332 -1.113 15.080 1.00 3.09 O ATOM 0 H GLU A 4 -6.754 2.035 11.672 1.00 1.37 H new ATOM 0 HA GLU A 4 -5.388 0.706 13.799 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.271 0.117 11.907 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.878 -0.563 11.089 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.268 -1.510 13.540 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.323 -2.422 12.379 1.00 2.39 H new ATOM 54 N GLU A 5 -3.141 -0.124 13.028 1.00 1.00 N ATOM 55 CA GLU A 5 -1.714 -0.325 12.649 1.00 0.81 C ATOM 56 C GLU A 5 -1.330 -1.803 12.766 1.00 0.87 C ATOM 57 O GLU A 5 -1.507 -2.422 13.797 1.00 1.15 O ATOM 58 CB GLU A 5 -0.920 0.512 13.651 1.00 0.95 C ATOM 59 CG GLU A 5 -1.053 1.994 13.297 1.00 1.46 C ATOM 60 CD GLU A 5 -0.328 2.836 14.349 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.879 2.695 14.464 1.00 2.19 O ATOM 62 OE2 GLU A 5 -0.992 3.608 15.022 1.00 2.50 O ATOM 0 H GLU A 5 -3.430 -0.581 13.893 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.518 -0.030 11.618 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.288 0.334 14.662 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.129 0.217 13.637 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.630 2.183 12.310 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -2.105 2.275 13.252 1.00 1.46 H new ATOM 69 N GLU A 6 -0.799 -2.370 11.717 1.00 0.79 N ATOM 70 CA GLU A 6 -0.395 -3.805 11.767 1.00 1.04 C ATOM 71 C GLU A 6 1.058 -3.917 12.239 1.00 1.10 C ATOM 72 O GLU A 6 1.594 -3.007 12.840 1.00 1.76 O ATOM 73 CB GLU A 6 -0.534 -4.305 10.328 1.00 1.28 C ATOM 74 CG GLU A 6 -1.710 -5.280 10.239 1.00 1.68 C ATOM 75 CD GLU A 6 -2.545 -5.192 11.518 1.00 1.97 C ATOM 76 OE1 GLU A 6 -1.959 -5.008 12.573 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.755 -5.309 11.422 1.00 2.24 O ATOM 0 H GLU A 6 -0.627 -1.902 10.827 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.004 -4.388 12.458 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -0.693 -3.464 9.653 1.00 1.28 H new ATOM 0 HB3 GLU A 6 0.386 -4.798 10.012 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -2.327 -5.043 9.372 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -1.343 -6.297 10.101 1.00 1.68 H new ATOM 84 N ASP A 7 1.704 -5.020 11.971 1.00 1.27 N ATOM 85 CA ASP A 7 3.125 -5.176 12.405 1.00 1.35 C ATOM 86 C ASP A 7 3.951 -3.973 11.935 1.00 1.28 C ATOM 87 O ASP A 7 4.468 -3.213 12.730 1.00 2.01 O ATOM 88 CB ASP A 7 3.609 -6.458 11.725 1.00 1.53 C ATOM 89 CG ASP A 7 3.345 -6.370 10.222 1.00 1.92 C ATOM 90 OD1 ASP A 7 4.148 -5.762 9.534 1.00 2.36 O ATOM 91 OD2 ASP A 7 2.344 -6.913 9.784 1.00 2.57 O ATOM 0 H ASP A 7 1.312 -5.818 11.472 1.00 1.27 H new ATOM 0 HA ASP A 7 3.225 -5.229 13.489 1.00 1.35 H new ATOM 0 HB2 ASP A 7 4.674 -6.601 11.910 1.00 1.53 H new ATOM 0 HB3 ASP A 7 3.094 -7.322 12.145 1.00 1.53 H new ATOM 96 N HIS A 8 4.065 -3.795 10.649 1.00 1.21 N ATOM 97 CA HIS A 8 4.842 -2.638 10.116 1.00 1.11 C ATOM 98 C HIS A 8 4.024 -1.934 9.032 1.00 0.81 C ATOM 99 O HIS A 8 4.558 -1.389 8.086 1.00 0.87 O ATOM 100 CB HIS A 8 6.114 -3.248 9.524 1.00 1.32 C ATOM 101 CG HIS A 8 7.006 -3.726 10.637 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.544 -5.003 10.654 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.463 -3.111 11.776 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.287 -5.115 11.770 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.272 -3.989 12.490 1.00 2.33 N ATOM 0 H HIS A 8 3.653 -4.402 9.940 1.00 1.21 H new ATOM 0 HA HIS A 8 5.074 -1.898 10.882 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.859 -4.078 8.866 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.636 -2.508 8.917 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.230 -2.099 12.073 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.829 -6.006 12.050 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.751 -3.812 13.373 1.00 2.33 H new ATOM 113 N VAL A 9 2.726 -1.956 9.163 1.00 0.69 N ATOM 114 CA VAL A 9 1.850 -1.306 8.148 1.00 0.49 C ATOM 115 C VAL A 9 0.627 -0.690 8.839 1.00 0.41 C ATOM 116 O VAL A 9 0.387 -0.920 10.008 1.00 0.54 O ATOM 117 CB VAL A 9 1.433 -2.453 7.220 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.360 -1.975 6.242 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.654 -2.938 6.436 1.00 0.89 C ATOM 0 H VAL A 9 2.231 -2.400 9.936 1.00 0.69 H new ATOM 0 HA VAL A 9 2.345 -0.500 7.606 1.00 0.49 H new ATOM 0 HB VAL A 9 1.029 -3.269 7.820 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.071 -2.798 5.588 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.512 -1.631 6.798 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.754 -1.155 5.642 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.361 -3.754 5.775 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.055 -2.116 5.843 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.416 -3.290 7.131 1.00 0.89 H new ATOM 129 N LEU A 10 -0.159 0.075 8.128 1.00 0.41 N ATOM 130 CA LEU A 10 -1.370 0.674 8.767 1.00 0.54 C ATOM 131 C LEU A 10 -2.535 0.747 7.775 1.00 0.42 C ATOM 132 O LEU A 10 -2.360 1.015 6.604 1.00 0.59 O ATOM 133 CB LEU A 10 -0.949 2.069 9.304 1.00 0.83 C ATOM 134 CG LEU A 10 -0.772 3.138 8.200 1.00 0.96 C ATOM 135 CD1 LEU A 10 0.114 2.618 7.069 1.00 1.49 C ATOM 136 CD2 LEU A 10 -2.132 3.571 7.642 1.00 1.30 C ATOM 0 H LEU A 10 -0.019 0.309 7.145 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.732 0.059 9.590 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.699 2.416 10.015 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.012 1.969 9.853 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.285 4.002 8.651 1.00 0.96 H new ATOM 0 HD11 LEU A 10 0.221 3.390 6.307 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.096 2.360 7.465 1.00 1.49 H new ATOM 0 HD13 LEU A 10 -0.343 1.733 6.627 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.985 4.323 6.867 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -2.643 2.707 7.217 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.738 3.991 8.445 1.00 1.30 H new ATOM 148 N VAL A 11 -3.728 0.499 8.239 1.00 0.54 N ATOM 149 CA VAL A 11 -4.910 0.543 7.332 1.00 0.46 C ATOM 150 C VAL A 11 -5.310 1.991 7.047 1.00 0.43 C ATOM 151 O VAL A 11 -5.117 2.872 7.861 1.00 0.54 O ATOM 152 CB VAL A 11 -6.021 -0.176 8.097 1.00 0.61 C ATOM 153 CG1 VAL A 11 -7.272 -0.260 7.220 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.558 -1.588 8.461 1.00 1.39 C ATOM 0 H VAL A 11 -3.936 0.267 9.210 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.706 0.076 6.368 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.252 0.377 9.008 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -8.065 -0.773 7.765 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.602 0.746 6.960 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -7.042 -0.813 6.309 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.350 -2.101 9.007 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -5.327 -2.141 7.551 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -4.667 -1.529 9.086 1.00 1.39 H new ATOM 164 N LEU A 12 -5.871 2.240 5.896 1.00 0.40 N ATOM 165 CA LEU A 12 -6.291 3.628 5.557 1.00 0.45 C ATOM 166 C LEU A 12 -7.797 3.777 5.696 1.00 0.44 C ATOM 167 O LEU A 12 -8.476 2.942 6.260 1.00 0.58 O ATOM 168 CB LEU A 12 -5.879 3.832 4.099 1.00 0.63 C ATOM 169 CG LEU A 12 -5.042 5.108 3.966 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.833 5.039 4.904 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.556 5.245 2.523 1.00 1.16 C ATOM 0 H LEU A 12 -6.057 1.542 5.176 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.831 4.361 6.221 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.306 2.973 3.751 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.765 3.901 3.468 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.654 5.969 4.233 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.242 5.950 4.804 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.177 4.941 5.934 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.218 4.178 4.643 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.960 6.152 2.424 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.947 4.380 2.261 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.414 5.301 1.854 1.00 1.16 H new ATOM 183 N ARG A 13 -8.311 4.843 5.180 1.00 0.47 N ATOM 184 CA ARG A 13 -9.780 5.086 5.262 1.00 0.55 C ATOM 185 C ARG A 13 -10.184 6.230 4.329 1.00 0.54 C ATOM 186 O ARG A 13 -9.533 6.497 3.338 1.00 0.73 O ATOM 187 CB ARG A 13 -10.041 5.462 6.721 1.00 0.69 C ATOM 188 CG ARG A 13 -11.135 4.558 7.292 1.00 1.19 C ATOM 189 CD ARG A 13 -11.359 4.894 8.767 1.00 1.28 C ATOM 190 NE ARG A 13 -12.543 4.082 9.168 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.879 3.993 10.427 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.117 5.075 11.117 1.00 2.68 N ATOM 193 NH2 ARG A 13 -12.976 2.822 10.995 1.00 2.84 N ATOM 0 H ARG A 13 -7.780 5.568 4.699 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.358 4.214 4.958 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.126 5.357 7.304 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.345 6.507 6.790 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.061 4.693 6.733 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.848 3.512 7.186 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.485 4.642 9.367 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.544 5.959 8.906 1.00 1.28 H new ATOM 0 HE ARG A 13 -13.091 3.596 8.459 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.041 5.990 10.673 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.379 5.005 12.100 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -12.789 1.977 10.456 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -13.238 2.752 11.978 1.00 2.84 H new ATOM 207 N LYS A 14 -11.257 6.905 4.637 1.00 0.58 N ATOM 208 CA LYS A 14 -11.711 8.028 3.768 1.00 0.63 C ATOM 209 C LYS A 14 -10.918 9.301 4.077 1.00 0.65 C ATOM 210 O LYS A 14 -10.643 10.100 3.203 1.00 0.83 O ATOM 211 CB LYS A 14 -13.186 8.221 4.120 1.00 0.74 C ATOM 212 CG LYS A 14 -14.025 7.177 3.384 1.00 1.26 C ATOM 213 CD LYS A 14 -15.430 7.729 3.143 1.00 1.92 C ATOM 214 CE LYS A 14 -16.087 8.055 4.486 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.362 8.739 4.135 1.00 2.80 N ATOM 0 H LYS A 14 -11.840 6.727 5.455 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.562 7.815 2.709 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.330 8.126 5.196 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.509 9.224 3.843 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.555 6.922 2.434 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.079 6.259 3.970 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.379 8.625 2.524 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.031 7.000 2.600 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.271 7.150 5.065 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.448 8.697 5.092 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.870 8.994 5.006 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.155 9.600 3.590 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.952 8.101 3.564 1.00 2.80 H new ATOM 229 N SER A 15 -10.555 9.501 5.314 1.00 0.68 N ATOM 230 CA SER A 15 -9.786 10.728 5.674 1.00 0.88 C ATOM 231 C SER A 15 -8.291 10.414 5.804 1.00 0.81 C ATOM 232 O SER A 15 -7.463 11.302 5.808 1.00 1.05 O ATOM 233 CB SER A 15 -10.360 11.170 7.021 1.00 1.10 C ATOM 234 OG SER A 15 -11.038 12.408 6.864 1.00 1.68 O ATOM 0 H SER A 15 -10.756 8.870 6.090 1.00 0.68 H new ATOM 0 HA SER A 15 -9.875 11.503 4.913 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.046 10.413 7.402 1.00 1.10 H new ATOM 0 HB3 SER A 15 -9.559 11.272 7.754 1.00 1.10 H new ATOM 0 HG SER A 15 -11.407 12.690 7.727 1.00 1.68 H new ATOM 240 N ASN A 16 -7.938 9.162 5.912 1.00 0.65 N ATOM 241 CA ASN A 16 -6.496 8.808 6.045 1.00 0.68 C ATOM 242 C ASN A 16 -5.830 8.764 4.668 1.00 0.55 C ATOM 243 O ASN A 16 -4.644 8.990 4.533 1.00 0.56 O ATOM 244 CB ASN A 16 -6.485 7.422 6.688 1.00 0.87 C ATOM 245 CG ASN A 16 -7.180 7.485 8.049 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.653 8.528 8.456 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.262 6.404 8.775 1.00 0.98 N ATOM 0 H ASN A 16 -8.583 8.372 5.914 1.00 0.65 H new ATOM 0 HA ASN A 16 -5.947 9.538 6.639 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.992 6.706 6.042 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.459 7.073 6.807 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.723 6.434 9.684 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.865 5.529 8.433 1.00 0.98 H new ATOM 254 N PHE A 17 -6.584 8.475 3.644 1.00 0.55 N ATOM 255 CA PHE A 17 -5.992 8.415 2.278 1.00 0.51 C ATOM 256 C PHE A 17 -5.354 9.759 1.916 1.00 0.46 C ATOM 257 O PHE A 17 -4.155 9.864 1.751 1.00 0.52 O ATOM 258 CB PHE A 17 -7.167 8.112 1.349 1.00 0.56 C ATOM 259 CG PHE A 17 -6.645 7.837 -0.040 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.410 8.898 -0.920 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.401 6.520 -0.447 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.929 8.643 -2.209 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.920 6.266 -1.735 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.669 7.325 -2.611 1.00 0.87 C ATOM 0 H PHE A 17 -7.584 8.278 3.694 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.208 7.662 2.202 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.725 7.251 1.718 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.858 8.955 1.330 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.600 9.913 -0.605 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.584 5.701 0.233 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.758 9.461 -2.894 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.742 5.249 -2.053 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.275 7.129 -3.597 1.00 0.87 H new ATOM 274 N ALA A 18 -6.147 10.788 1.792 1.00 0.52 N ATOM 275 CA ALA A 18 -5.583 12.124 1.441 1.00 0.66 C ATOM 276 C ALA A 18 -4.486 12.509 2.437 1.00 0.59 C ATOM 277 O ALA A 18 -3.533 13.182 2.099 1.00 0.75 O ATOM 278 CB ALA A 18 -6.764 13.090 1.541 1.00 0.84 C ATOM 0 H ALA A 18 -7.159 10.763 1.918 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.131 12.137 0.449 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.431 14.099 1.297 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.543 12.786 0.842 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.161 13.075 2.556 1.00 0.84 H new ATOM 284 N GLU A 19 -4.614 12.083 3.663 1.00 0.46 N ATOM 285 CA GLU A 19 -3.581 12.417 4.683 1.00 0.49 C ATOM 286 C GLU A 19 -2.255 11.748 4.323 1.00 0.48 C ATOM 287 O GLU A 19 -1.274 12.404 4.046 1.00 0.56 O ATOM 288 CB GLU A 19 -4.127 11.850 5.992 1.00 0.55 C ATOM 289 CG GLU A 19 -3.169 12.193 7.135 1.00 0.69 C ATOM 290 CD GLU A 19 -3.967 12.470 8.412 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.135 12.116 8.449 1.00 1.66 O ATOM 292 OE2 GLU A 19 -3.397 13.032 9.333 1.00 1.78 O ATOM 0 H GLU A 19 -5.391 11.517 4.003 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.391 13.488 4.749 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.115 12.262 6.195 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.243 10.769 5.912 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.475 11.369 7.300 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.571 13.066 6.872 1.00 0.69 H new ATOM 299 N ALA A 20 -2.225 10.443 4.325 1.00 0.45 N ATOM 300 CA ALA A 20 -0.965 9.711 3.986 1.00 0.53 C ATOM 301 C ALA A 20 -0.312 10.296 2.729 1.00 0.57 C ATOM 302 O ALA A 20 0.882 10.509 2.678 1.00 0.71 O ATOM 303 CB ALA A 20 -1.409 8.271 3.732 1.00 0.57 C ATOM 0 H ALA A 20 -3.022 9.847 4.548 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.224 9.786 4.782 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.542 7.663 3.476 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -1.880 7.872 4.630 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.123 8.250 2.909 1.00 0.57 H new ATOM 309 N LEU A 21 -1.089 10.553 1.718 1.00 0.55 N ATOM 310 CA LEU A 21 -0.518 11.120 0.462 1.00 0.69 C ATOM 311 C LEU A 21 -0.157 12.594 0.653 1.00 0.75 C ATOM 312 O LEU A 21 0.892 13.046 0.240 1.00 0.92 O ATOM 313 CB LEU A 21 -1.628 10.974 -0.579 1.00 0.74 C ATOM 314 CG LEU A 21 -1.468 9.644 -1.316 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.425 8.609 -0.720 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.791 9.842 -2.799 1.00 1.44 C ATOM 0 H LEU A 21 -2.097 10.396 1.704 1.00 0.55 H new ATOM 0 HA LEU A 21 0.397 10.609 0.162 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.603 11.018 -0.094 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.587 11.801 -1.288 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.442 9.292 -1.210 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.310 7.661 -1.246 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.196 8.468 0.336 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.452 8.960 -0.825 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.677 8.895 -3.326 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -2.817 10.195 -2.904 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -1.109 10.578 -3.225 1.00 1.44 H new ATOM 328 N ALA A 22 -1.021 13.345 1.274 1.00 0.71 N ATOM 329 CA ALA A 22 -0.731 14.793 1.492 1.00 0.85 C ATOM 330 C ALA A 22 0.094 14.995 2.770 1.00 0.89 C ATOM 331 O ALA A 22 0.274 16.105 3.231 1.00 1.08 O ATOM 332 CB ALA A 22 -2.103 15.453 1.628 1.00 1.00 C ATOM 0 H ALA A 22 -1.916 13.021 1.641 1.00 0.71 H new ATOM 0 HA ALA A 22 -0.148 15.221 0.676 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.977 16.523 1.791 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.677 15.290 0.716 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.634 15.017 2.474 1.00 1.00 H new ATOM 338 N ALA A 23 0.599 13.936 3.345 1.00 0.86 N ATOM 339 CA ALA A 23 1.411 14.078 4.586 1.00 0.93 C ATOM 340 C ALA A 23 2.778 13.414 4.396 1.00 0.85 C ATOM 341 O ALA A 23 3.787 13.899 4.868 1.00 0.95 O ATOM 342 CB ALA A 23 0.606 13.362 5.672 1.00 1.05 C ATOM 0 H ALA A 23 0.484 12.980 3.008 1.00 0.86 H new ATOM 0 HA ALA A 23 1.598 15.120 4.844 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.140 13.423 6.620 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.370 13.837 5.774 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.473 12.316 5.396 1.00 1.05 H new ATOM 348 N HIS A 24 2.818 12.309 3.702 1.00 0.83 N ATOM 349 CA HIS A 24 4.117 11.615 3.473 1.00 0.84 C ATOM 350 C HIS A 24 4.485 11.669 1.988 1.00 0.82 C ATOM 351 O HIS A 24 3.890 12.397 1.218 1.00 1.30 O ATOM 352 CB HIS A 24 3.877 10.170 3.912 1.00 0.95 C ATOM 353 CG HIS A 24 4.523 9.936 5.249 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.249 8.789 5.530 1.00 1.80 N ATOM 355 CD2 HIS A 24 4.559 10.691 6.395 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.687 8.885 6.798 1.00 2.04 C ATOM 357 NE2 HIS A 24 5.295 10.026 7.372 1.00 2.00 N ATOM 0 H HIS A 24 2.006 11.856 3.283 1.00 0.83 H new ATOM 0 HA HIS A 24 4.937 12.077 4.023 1.00 0.84 H new ATOM 0 HB2 HIS A 24 2.807 9.971 3.974 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.287 9.482 3.173 1.00 0.95 H new ATOM 0 HD2 HIS A 24 4.088 11.655 6.520 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.283 8.132 7.292 1.00 2.04 H new ATOM 0 HE2 HIS A 24 5.492 10.342 8.322 1.00 2.00 H new ATOM 365 N LYS A 25 5.457 10.902 1.579 1.00 0.72 N ATOM 366 CA LYS A 25 5.858 10.909 0.142 1.00 0.69 C ATOM 367 C LYS A 25 5.484 9.578 -0.515 1.00 0.59 C ATOM 368 O LYS A 25 4.585 9.505 -1.329 1.00 0.68 O ATOM 369 CB LYS A 25 7.376 11.090 0.156 1.00 0.81 C ATOM 370 CG LYS A 25 7.719 12.543 -0.174 1.00 1.20 C ATOM 371 CD LYS A 25 7.262 13.448 0.972 1.00 1.51 C ATOM 372 CE LYS A 25 8.110 13.167 2.215 1.00 2.06 C ATOM 373 NZ LYS A 25 8.554 14.508 2.688 1.00 2.47 N ATOM 0 H LYS A 25 5.991 10.271 2.176 1.00 0.72 H new ATOM 0 HA LYS A 25 5.359 11.696 -0.423 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.776 10.824 1.135 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.839 10.422 -0.570 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.793 12.648 -0.329 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.233 12.841 -1.103 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.357 14.495 0.683 1.00 1.51 H new ATOM 0 HD3 LYS A 25 6.209 13.272 1.190 1.00 1.51 H new ATOM 0 HE2 LYS A 25 7.530 12.650 2.980 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.962 12.530 1.976 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 9.142 14.399 3.539 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.109 14.973 1.941 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 7.722 15.089 2.914 1.00 2.47 H new ATOM 387 N TYR A 26 6.168 8.525 -0.162 1.00 0.52 N ATOM 388 CA TYR A 26 5.859 7.195 -0.758 1.00 0.48 C ATOM 389 C TYR A 26 4.819 6.468 0.100 1.00 0.46 C ATOM 390 O TYR A 26 5.119 5.981 1.171 1.00 0.53 O ATOM 391 CB TYR A 26 7.195 6.444 -0.737 1.00 0.56 C ATOM 392 CG TYR A 26 8.030 6.799 -1.954 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.885 8.061 -2.544 1.00 0.75 C ATOM 394 CD2 TYR A 26 8.938 5.875 -2.498 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.644 8.401 -3.669 1.00 0.87 C ATOM 396 CE2 TYR A 26 9.694 6.217 -3.625 1.00 1.31 C ATOM 397 CZ TYR A 26 9.598 7.428 -4.191 1.00 1.08 C ATOM 398 OH TYR A 26 10.293 7.814 -5.323 1.00 1.33 O ATOM 0 H TYR A 26 6.930 8.529 0.516 1.00 0.52 H new ATOM 0 HA TYR A 26 5.446 7.269 -1.764 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.743 6.693 0.172 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.013 5.369 -0.715 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.186 8.773 -2.130 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.053 4.901 -2.046 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.526 9.365 -4.142 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.370 5.489 -4.048 1.00 1.31 H new ATOM 0 HH TYR A 26 10.905 7.097 -5.592 1.00 1.33 H new ATOM 408 N LEU A 27 3.597 6.399 -0.354 1.00 0.46 N ATOM 409 CA LEU A 27 2.549 5.711 0.452 1.00 0.45 C ATOM 410 C LEU A 27 1.906 4.587 -0.359 1.00 0.40 C ATOM 411 O LEU A 27 1.254 4.823 -1.358 1.00 0.50 O ATOM 412 CB LEU A 27 1.503 6.789 0.776 1.00 0.51 C ATOM 413 CG LEU A 27 2.041 7.783 1.819 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.601 7.032 3.031 1.00 0.66 C ATOM 415 CD2 LEU A 27 3.141 8.644 1.194 1.00 1.93 C ATOM 0 H LEU A 27 3.280 6.787 -1.243 1.00 0.46 H new ATOM 0 HA LEU A 27 2.966 5.263 1.354 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.232 7.323 -0.135 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.595 6.318 1.152 1.00 0.51 H new ATOM 0 HG LEU A 27 1.222 8.423 2.148 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.978 7.749 3.761 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.811 6.433 3.485 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.413 6.379 2.711 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.519 9.347 1.937 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.955 8.004 0.853 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.734 9.196 0.347 1.00 1.93 H new ATOM 427 N LEU A 28 2.071 3.368 0.066 1.00 0.33 N ATOM 428 CA LEU A 28 1.455 2.235 -0.676 1.00 0.32 C ATOM 429 C LEU A 28 0.132 1.843 -0.017 1.00 0.29 C ATOM 430 O LEU A 28 0.037 1.738 1.189 1.00 0.35 O ATOM 431 CB LEU A 28 2.463 1.092 -0.576 1.00 0.40 C ATOM 432 CG LEU A 28 1.897 -0.134 -1.288 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.948 0.095 -2.799 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.727 -1.365 -0.923 1.00 1.12 C ATOM 0 H LEU A 28 2.605 3.107 0.895 1.00 0.33 H new ATOM 0 HA LEU A 28 1.237 2.489 -1.713 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.411 1.385 -1.027 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.666 0.860 0.469 1.00 0.40 H new ATOM 0 HG LEU A 28 0.864 -0.295 -0.979 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.545 -0.778 -3.313 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.354 0.973 -3.054 1.00 0.73 H new ATOM 0 HD13 LEU A 28 2.981 0.253 -3.108 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.323 -2.240 -1.431 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.761 -1.211 -1.232 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.690 -1.522 0.155 1.00 1.12 H new ATOM 446 N VAL A 29 -0.894 1.636 -0.796 1.00 0.32 N ATOM 447 CA VAL A 29 -2.211 1.265 -0.204 1.00 0.32 C ATOM 448 C VAL A 29 -2.810 0.060 -0.938 1.00 0.34 C ATOM 449 O VAL A 29 -2.796 -0.012 -2.151 1.00 0.47 O ATOM 450 CB VAL A 29 -3.087 2.505 -0.397 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.515 2.209 0.064 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.519 3.663 0.426 1.00 0.77 C ATOM 0 H VAL A 29 -0.878 1.707 -1.813 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.128 0.979 0.845 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.098 2.775 -1.453 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.134 3.095 -0.076 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.923 1.386 -0.522 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.507 1.935 1.119 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.142 4.547 0.289 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.506 3.388 1.481 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.503 3.881 0.095 1.00 0.77 H new ATOM 462 N GLU A 30 -3.343 -0.884 -0.208 1.00 0.32 N ATOM 463 CA GLU A 30 -3.953 -2.080 -0.859 1.00 0.39 C ATOM 464 C GLU A 30 -5.476 -2.042 -0.700 1.00 0.36 C ATOM 465 O GLU A 30 -5.990 -1.753 0.363 1.00 0.42 O ATOM 466 CB GLU A 30 -3.364 -3.282 -0.119 1.00 0.52 C ATOM 467 CG GLU A 30 -3.954 -4.571 -0.693 1.00 0.64 C ATOM 468 CD GLU A 30 -3.524 -5.757 0.173 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.490 -5.656 0.811 1.00 1.48 O ATOM 470 OE2 GLU A 30 -4.236 -6.748 0.181 1.00 1.60 O ATOM 0 H GLU A 30 -3.382 -0.878 0.811 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.744 -2.122 -1.928 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.279 -3.289 -0.220 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.584 -3.211 0.946 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.042 -4.504 -0.723 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.615 -4.714 -1.719 1.00 0.64 H new ATOM 477 N PHE A 31 -6.203 -2.320 -1.747 1.00 0.35 N ATOM 478 CA PHE A 31 -7.689 -2.287 -1.656 1.00 0.36 C ATOM 479 C PHE A 31 -8.266 -3.705 -1.716 1.00 0.39 C ATOM 480 O PHE A 31 -8.262 -4.340 -2.752 1.00 0.49 O ATOM 481 CB PHE A 31 -8.129 -1.490 -2.881 1.00 0.41 C ATOM 482 CG PHE A 31 -7.785 -0.033 -2.692 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.434 0.714 -1.702 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.815 0.571 -3.501 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.115 2.065 -1.522 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.496 1.922 -3.322 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.147 2.671 -2.350 1.00 0.53 C ATOM 0 H PHE A 31 -5.831 -2.569 -2.663 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.034 -1.846 -0.721 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.637 -1.877 -3.774 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.202 -1.603 -3.034 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.181 0.248 -1.077 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.313 -0.006 -4.263 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.608 2.641 -0.753 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.741 2.384 -3.942 1.00 0.52 H new ATOM 0 HZ PHE A 31 -6.912 3.718 -2.228 1.00 0.53 H new ATOM 497 N TYR A 32 -8.777 -4.205 -0.622 1.00 0.37 N ATOM 498 CA TYR A 32 -9.364 -5.577 -0.642 1.00 0.44 C ATOM 499 C TYR A 32 -10.461 -5.712 0.413 1.00 0.40 C ATOM 500 O TYR A 32 -10.863 -4.753 1.039 1.00 0.45 O ATOM 501 CB TYR A 32 -8.209 -6.528 -0.332 1.00 0.54 C ATOM 502 CG TYR A 32 -7.628 -6.203 1.024 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.860 -5.047 1.200 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.860 -7.061 2.105 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.322 -4.750 2.459 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.323 -6.765 3.362 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.554 -5.609 3.540 1.00 0.77 C ATOM 508 OH TYR A 32 -6.025 -5.317 4.781 1.00 0.94 O ATOM 0 H TYR A 32 -8.813 -3.727 0.278 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.822 -5.799 -1.606 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.561 -7.560 -0.349 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.439 -6.441 -1.098 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.682 -4.384 0.366 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.454 -7.952 1.968 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.728 -3.858 2.596 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.502 -7.428 4.195 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.584 -4.646 5.225 1.00 0.94 H new ATOM 518 N ALA A 33 -10.948 -6.905 0.606 1.00 0.40 N ATOM 519 CA ALA A 33 -12.027 -7.119 1.614 1.00 0.44 C ATOM 520 C ALA A 33 -11.645 -8.245 2.581 1.00 0.53 C ATOM 521 O ALA A 33 -10.728 -8.995 2.322 1.00 0.56 O ATOM 522 CB ALA A 33 -13.255 -7.517 0.797 1.00 0.49 C ATOM 0 H ALA A 33 -10.646 -7.743 0.110 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.203 -6.230 2.219 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.096 -7.693 1.467 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.506 -6.715 0.103 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -13.040 -8.427 0.237 1.00 0.49 H new ATOM 528 N PRO A 34 -12.370 -8.332 3.668 1.00 0.63 N ATOM 529 CA PRO A 34 -12.099 -9.390 4.676 1.00 0.78 C ATOM 530 C PRO A 34 -12.479 -10.774 4.130 1.00 0.82 C ATOM 531 O PRO A 34 -12.193 -11.786 4.737 1.00 0.96 O ATOM 532 CB PRO A 34 -13.001 -9.006 5.846 1.00 0.90 C ATOM 533 CG PRO A 34 -14.100 -8.199 5.232 1.00 0.81 C ATOM 534 CD PRO A 34 -13.496 -7.473 4.062 1.00 0.66 C ATOM 0 HA PRO A 34 -11.046 -9.454 4.952 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.393 -9.889 6.350 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.456 -8.429 6.593 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.919 -8.842 4.909 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.514 -7.495 5.954 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.213 -7.354 3.250 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.160 -6.474 4.340 1.00 0.66 H new ATOM 542 N TRP A 35 -13.124 -10.831 2.992 1.00 0.74 N ATOM 543 CA TRP A 35 -13.516 -12.157 2.430 1.00 0.83 C ATOM 544 C TRP A 35 -12.915 -12.366 1.033 1.00 0.78 C ATOM 545 O TRP A 35 -13.197 -13.347 0.373 1.00 0.92 O ATOM 546 CB TRP A 35 -15.043 -12.119 2.356 1.00 0.91 C ATOM 547 CG TRP A 35 -15.472 -11.014 1.444 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.776 -9.756 1.837 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.651 -11.045 -0.002 1.00 1.25 C ATOM 550 NE1 TRP A 35 -16.129 -9.013 0.726 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.068 -9.763 -0.433 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.493 -12.052 -0.973 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.319 -9.489 -1.778 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.745 -11.779 -2.328 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.157 -10.500 -2.729 1.00 2.26 C ATOM 0 H TRP A 35 -13.394 -10.022 2.432 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.152 -12.979 3.046 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.424 -13.073 1.992 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.462 -11.967 3.351 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.748 -9.391 2.853 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.401 -8.031 0.758 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.176 -13.040 -0.675 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.636 -8.502 -2.082 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.621 -12.559 -3.065 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -16.349 -10.296 -3.772 1.00 2.26 H new ATOM 566 N CYS A 36 -12.091 -11.461 0.572 1.00 0.65 N ATOM 567 CA CYS A 36 -11.486 -11.633 -0.781 1.00 0.67 C ATOM 568 C CYS A 36 -10.712 -12.954 -0.844 1.00 0.84 C ATOM 569 O CYS A 36 -10.840 -13.800 0.018 1.00 1.63 O ATOM 570 CB CYS A 36 -10.539 -10.445 -0.948 1.00 0.58 C ATOM 571 SG CYS A 36 -9.301 -10.472 0.369 1.00 1.07 S ATOM 0 H CYS A 36 -11.813 -10.616 1.071 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.237 -11.665 -1.571 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.051 -10.489 -1.922 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -11.100 -9.511 -0.915 1.00 0.58 H new ATOM 576 N GLY A 37 -9.914 -13.140 -1.859 1.00 0.96 N ATOM 577 CA GLY A 37 -9.141 -14.409 -1.970 1.00 1.08 C ATOM 578 C GLY A 37 -7.669 -14.095 -2.246 1.00 1.00 C ATOM 579 O GLY A 37 -7.323 -13.009 -2.668 1.00 1.83 O ATOM 0 H GLY A 37 -9.764 -12.471 -2.614 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.233 -14.984 -1.049 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.548 -15.025 -2.772 1.00 1.08 H new ATOM 583 N HIS A 38 -6.798 -15.042 -2.010 1.00 0.89 N ATOM 584 CA HIS A 38 -5.344 -14.805 -2.259 1.00 0.97 C ATOM 585 C HIS A 38 -4.865 -13.563 -1.503 1.00 0.88 C ATOM 586 O HIS A 38 -3.853 -12.977 -1.832 1.00 1.13 O ATOM 587 CB HIS A 38 -5.231 -14.577 -3.763 1.00 1.32 C ATOM 588 CG HIS A 38 -3.952 -15.185 -4.273 1.00 1.72 C ATOM 589 ND1 HIS A 38 -2.909 -14.411 -4.757 1.00 2.39 N ATOM 590 CD2 HIS A 38 -3.534 -16.488 -4.380 1.00 2.35 C ATOM 591 CE1 HIS A 38 -1.923 -15.247 -5.130 1.00 2.85 C ATOM 592 NE2 HIS A 38 -2.252 -16.525 -4.922 1.00 2.87 N ATOM 0 H HIS A 38 -7.031 -15.970 -1.655 1.00 0.89 H new ATOM 0 HA HIS A 38 -4.733 -15.641 -1.920 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.085 -15.022 -4.273 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.250 -13.509 -3.981 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.111 -17.353 -4.088 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -0.980 -14.924 -5.547 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -1.686 -17.350 -5.118 1.00 2.87 H new ATOM 600 N CYS A 39 -5.580 -13.161 -0.493 1.00 0.79 N ATOM 601 CA CYS A 39 -5.164 -11.958 0.283 1.00 0.88 C ATOM 602 C CYS A 39 -4.267 -12.377 1.443 1.00 0.82 C ATOM 603 O CYS A 39 -3.221 -11.804 1.676 1.00 1.00 O ATOM 604 CB CYS A 39 -6.463 -11.354 0.815 1.00 1.08 C ATOM 605 SG CYS A 39 -7.593 -11.008 -0.555 1.00 1.00 S ATOM 0 H CYS A 39 -6.436 -13.612 -0.169 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.604 -11.248 -0.326 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -6.932 -12.042 1.519 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.249 -10.435 1.361 1.00 1.08 H new ATOM 610 N LYS A 40 -4.677 -13.372 2.173 1.00 0.78 N ATOM 611 CA LYS A 40 -3.859 -13.838 3.325 1.00 0.94 C ATOM 612 C LYS A 40 -2.498 -14.338 2.836 1.00 0.84 C ATOM 613 O LYS A 40 -1.523 -14.323 3.562 1.00 0.94 O ATOM 614 CB LYS A 40 -4.665 -14.979 3.949 1.00 1.21 C ATOM 615 CG LYS A 40 -4.811 -16.118 2.937 1.00 1.56 C ATOM 616 CD LYS A 40 -5.774 -17.170 3.490 1.00 2.11 C ATOM 617 CE LYS A 40 -5.195 -18.566 3.249 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.374 -19.477 3.254 1.00 3.29 N ATOM 0 H LYS A 40 -5.546 -13.885 2.022 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.663 -13.042 4.044 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.167 -15.340 4.849 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.649 -14.620 4.252 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.184 -15.731 1.989 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -3.839 -16.568 2.737 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -5.932 -17.009 4.556 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.746 -17.079 3.006 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -4.663 -18.614 2.299 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.482 -18.838 4.028 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -6.058 -20.455 3.095 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.857 -19.415 4.173 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.031 -19.198 2.498 1.00 3.29 H new ATOM 632 N ALA A 41 -2.422 -14.776 1.610 1.00 0.77 N ATOM 633 CA ALA A 41 -1.122 -15.273 1.074 1.00 0.86 C ATOM 634 C ALA A 41 -0.102 -14.134 1.026 1.00 0.75 C ATOM 635 O ALA A 41 1.092 -14.356 1.010 1.00 0.90 O ATOM 636 CB ALA A 41 -1.439 -15.769 -0.336 1.00 0.93 C ATOM 0 H ALA A 41 -3.203 -14.812 0.955 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.692 -16.059 1.695 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.530 -16.152 -0.800 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.183 -16.564 -0.283 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.831 -14.945 -0.932 1.00 0.93 H new ATOM 642 N LEU A 42 -0.564 -12.914 1.003 1.00 0.65 N ATOM 643 CA LEU A 42 0.376 -11.757 0.954 1.00 0.67 C ATOM 644 C LEU A 42 0.252 -10.906 2.225 1.00 0.63 C ATOM 645 O LEU A 42 1.042 -10.013 2.461 1.00 0.70 O ATOM 646 CB LEU A 42 -0.053 -10.953 -0.273 1.00 0.82 C ATOM 647 CG LEU A 42 1.045 -9.951 -0.633 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.961 -10.559 -1.696 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.408 -8.671 -1.183 1.00 1.37 C ATOM 0 H LEU A 42 -1.554 -12.667 1.016 1.00 0.65 H new ATOM 0 HA LEU A 42 1.416 -12.077 0.893 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.240 -11.622 -1.113 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.987 -10.429 -0.070 1.00 0.82 H new ATOM 0 HG LEU A 42 1.627 -9.715 0.258 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.744 -9.845 -1.953 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.415 -11.471 -1.307 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.378 -10.795 -2.587 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.190 -7.957 -1.440 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.174 -8.908 -2.074 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.246 -8.237 -0.427 1.00 1.37 H new ATOM 661 N ALA A 43 -0.731 -11.169 3.047 1.00 0.71 N ATOM 662 CA ALA A 43 -0.897 -10.367 4.293 1.00 0.73 C ATOM 663 C ALA A 43 0.422 -10.306 5.077 1.00 0.67 C ATOM 664 O ALA A 43 0.846 -9.241 5.479 1.00 0.65 O ATOM 665 CB ALA A 43 -1.974 -11.094 5.100 1.00 0.88 C ATOM 0 H ALA A 43 -1.425 -11.904 2.908 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.179 -9.336 4.079 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.151 -10.561 6.034 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.898 -11.132 4.523 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.642 -12.109 5.319 1.00 0.88 H new ATOM 671 N PRO A 44 1.034 -11.452 5.279 1.00 0.69 N ATOM 672 CA PRO A 44 2.305 -11.501 6.032 1.00 0.70 C ATOM 673 C PRO A 44 3.503 -11.264 5.108 1.00 0.59 C ATOM 674 O PRO A 44 4.634 -11.530 5.466 1.00 0.65 O ATOM 675 CB PRO A 44 2.329 -12.918 6.590 1.00 0.83 C ATOM 676 CG PRO A 44 1.474 -13.734 5.658 1.00 0.84 C ATOM 677 CD PRO A 44 0.603 -12.791 4.859 1.00 0.76 C ATOM 0 HA PRO A 44 2.369 -10.734 6.803 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.347 -13.307 6.630 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.937 -12.946 7.607 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.100 -14.328 4.992 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.857 -14.433 6.223 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.741 -12.935 3.787 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.454 -12.952 5.069 1.00 0.76 H new ATOM 685 N GLU A 45 3.274 -10.737 3.943 1.00 0.53 N ATOM 686 CA GLU A 45 4.397 -10.447 3.021 1.00 0.46 C ATOM 687 C GLU A 45 4.338 -8.960 2.741 1.00 0.41 C ATOM 688 O GLU A 45 5.295 -8.233 2.900 1.00 0.47 O ATOM 689 CB GLU A 45 4.113 -11.260 1.756 1.00 0.48 C ATOM 690 CG GLU A 45 3.906 -12.730 2.125 1.00 0.61 C ATOM 691 CD GLU A 45 3.843 -13.575 0.850 1.00 1.12 C ATOM 692 OE1 GLU A 45 3.412 -13.051 -0.163 1.00 1.90 O ATOM 693 OE2 GLU A 45 4.229 -14.731 0.909 1.00 1.83 O ATOM 0 H GLU A 45 2.349 -10.493 3.588 1.00 0.53 H new ATOM 0 HA GLU A 45 5.382 -10.703 3.411 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.226 -10.872 1.254 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.943 -11.164 1.056 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.721 -13.074 2.762 1.00 0.61 H new ATOM 0 HG3 GLU A 45 2.985 -12.846 2.696 1.00 0.61 H new ATOM 700 N TYR A 46 3.181 -8.501 2.378 1.00 0.43 N ATOM 701 CA TYR A 46 3.002 -7.058 2.134 1.00 0.48 C ATOM 702 C TYR A 46 3.195 -6.303 3.458 1.00 0.52 C ATOM 703 O TYR A 46 3.452 -5.116 3.471 1.00 0.69 O ATOM 704 CB TYR A 46 1.565 -6.933 1.624 1.00 0.64 C ATOM 705 CG TYR A 46 1.194 -5.478 1.516 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.842 -4.760 2.661 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.197 -4.856 0.268 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.489 -3.411 2.559 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.845 -3.504 0.160 1.00 1.38 C ATOM 710 CZ TYR A 46 0.521 -2.773 1.324 1.00 1.50 C ATOM 711 OH TYR A 46 0.139 -1.452 1.207 1.00 1.95 O ATOM 0 H TYR A 46 2.347 -9.071 2.240 1.00 0.43 H new ATOM 0 HA TYR A 46 3.713 -6.641 1.421 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.470 -7.416 0.652 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.882 -7.444 2.302 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.842 -5.247 3.625 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.470 -5.416 -0.614 1.00 1.02 H new ATOM 0 HE1 TYR A 46 0.191 -2.864 3.441 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.822 -3.024 -0.807 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.834 -1.383 1.300 1.00 1.95 H new ATOM 721 N ALA A 47 3.080 -6.986 4.576 1.00 0.53 N ATOM 722 CA ALA A 47 3.266 -6.298 5.886 1.00 0.62 C ATOM 723 C ALA A 47 4.742 -6.342 6.294 1.00 0.58 C ATOM 724 O ALA A 47 5.224 -5.489 7.013 1.00 0.68 O ATOM 725 CB ALA A 47 2.413 -7.089 6.878 1.00 0.73 C ATOM 0 H ALA A 47 2.867 -7.982 4.633 1.00 0.53 H new ATOM 0 HA ALA A 47 2.974 -5.249 5.848 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.498 -6.642 7.868 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.371 -7.068 6.559 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.761 -8.121 6.915 1.00 0.73 H new ATOM 731 N LYS A 48 5.460 -7.332 5.839 1.00 0.51 N ATOM 732 CA LYS A 48 6.905 -7.435 6.197 1.00 0.55 C ATOM 733 C LYS A 48 7.739 -6.528 5.288 1.00 0.53 C ATOM 734 O LYS A 48 8.832 -6.124 5.631 1.00 0.65 O ATOM 735 CB LYS A 48 7.267 -8.903 5.966 1.00 0.60 C ATOM 736 CG LYS A 48 7.387 -9.619 7.311 1.00 1.03 C ATOM 737 CD LYS A 48 6.057 -9.527 8.061 1.00 1.41 C ATOM 738 CE LYS A 48 5.841 -10.800 8.882 1.00 1.92 C ATOM 739 NZ LYS A 48 4.393 -10.791 9.231 1.00 2.47 N ATOM 0 H LYS A 48 5.109 -8.075 5.234 1.00 0.51 H new ATOM 0 HA LYS A 48 7.100 -7.124 7.223 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.505 -9.384 5.353 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.207 -8.975 5.419 1.00 0.60 H new ATOM 0 HG2 LYS A 48 7.657 -10.664 7.156 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.183 -9.169 7.904 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.057 -8.656 8.716 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.238 -9.395 7.354 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.103 -11.689 8.309 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.463 -10.803 9.777 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 4.209 -11.501 9.968 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 4.127 -9.850 9.584 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 3.831 -11.016 8.385 1.00 2.47 H new ATOM 753 N ALA A 49 7.230 -6.205 4.130 1.00 0.47 N ATOM 754 CA ALA A 49 7.992 -5.325 3.199 1.00 0.50 C ATOM 755 C ALA A 49 8.228 -3.958 3.844 1.00 0.53 C ATOM 756 O ALA A 49 9.154 -3.250 3.503 1.00 0.65 O ATOM 757 CB ALA A 49 7.100 -5.188 1.964 1.00 0.55 C ATOM 0 H ALA A 49 6.319 -6.513 3.789 1.00 0.47 H new ATOM 0 HA ALA A 49 8.971 -5.734 2.950 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.592 -4.552 1.228 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.923 -6.173 1.532 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.148 -4.741 2.251 1.00 0.55 H new ATOM 763 N ALA A 50 7.395 -3.582 4.775 1.00 0.54 N ATOM 764 CA ALA A 50 7.569 -2.261 5.444 1.00 0.65 C ATOM 765 C ALA A 50 8.637 -2.356 6.539 1.00 0.65 C ATOM 766 O ALA A 50 9.188 -1.363 6.968 1.00 0.77 O ATOM 767 CB ALA A 50 6.204 -1.945 6.052 1.00 0.76 C ATOM 0 H ALA A 50 6.601 -4.132 5.102 1.00 0.54 H new ATOM 0 HA ALA A 50 7.897 -1.487 4.750 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.248 -0.984 6.565 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.455 -1.900 5.261 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.934 -2.725 6.764 1.00 0.76 H new ATOM 773 N GLY A 51 8.933 -3.544 6.995 1.00 0.59 N ATOM 774 CA GLY A 51 9.963 -3.696 8.061 1.00 0.69 C ATOM 775 C GLY A 51 11.349 -3.818 7.423 1.00 0.78 C ATOM 776 O GLY A 51 12.352 -3.506 8.034 1.00 0.90 O ATOM 0 H GLY A 51 8.506 -4.414 6.675 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.935 -2.838 8.733 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.750 -4.579 8.663 1.00 0.69 H new ATOM 780 N LYS A 52 11.416 -4.270 6.200 1.00 0.80 N ATOM 781 CA LYS A 52 12.740 -4.411 5.530 1.00 1.01 C ATOM 782 C LYS A 52 13.429 -3.047 5.427 1.00 1.12 C ATOM 783 O LYS A 52 14.640 -2.951 5.411 1.00 1.31 O ATOM 784 CB LYS A 52 12.424 -4.960 4.138 1.00 1.15 C ATOM 785 CG LYS A 52 11.933 -6.405 4.257 1.00 1.49 C ATOM 786 CD LYS A 52 13.080 -7.362 3.924 1.00 1.97 C ATOM 787 CE LYS A 52 12.691 -8.787 4.324 1.00 2.64 C ATOM 788 NZ LYS A 52 12.927 -8.851 5.793 1.00 3.08 N ATOM 0 H LYS A 52 10.612 -4.547 5.637 1.00 0.80 H new ATOM 0 HA LYS A 52 13.414 -5.066 6.082 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.663 -4.345 3.657 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.313 -4.918 3.509 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.568 -6.595 5.267 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.096 -6.573 3.579 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.304 -7.321 2.858 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.985 -7.059 4.451 1.00 1.97 H new ATOM 0 HE2 LYS A 52 11.649 -8.995 4.082 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.294 -9.525 3.795 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 13.734 -9.477 5.988 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 13.133 -7.898 6.153 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 12.078 -9.223 6.265 1.00 3.08 H new ATOM 802 N LEU A 53 12.666 -1.990 5.357 1.00 1.12 N ATOM 803 CA LEU A 53 13.279 -0.634 5.257 1.00 1.33 C ATOM 804 C LEU A 53 13.464 -0.025 6.652 1.00 1.30 C ATOM 805 O LEU A 53 14.200 0.925 6.830 1.00 1.50 O ATOM 806 CB LEU A 53 12.287 0.192 4.433 1.00 1.55 C ATOM 807 CG LEU A 53 10.966 0.324 5.197 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.754 1.786 5.598 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.811 -0.130 4.305 1.00 1.82 C ATOM 0 H LEU A 53 11.646 -2.006 5.365 1.00 1.12 H new ATOM 0 HA LEU A 53 14.266 -0.663 4.795 1.00 1.33 H new ATOM 0 HB2 LEU A 53 12.701 1.180 4.230 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.114 -0.285 3.468 1.00 1.55 H new ATOM 0 HG LEU A 53 11.001 -0.299 6.091 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.814 1.882 6.142 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.576 2.112 6.235 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.720 2.407 4.703 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.872 -0.036 4.850 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.776 0.492 3.411 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.961 -1.171 4.018 1.00 1.82 H new ATOM 821 N LYS A 54 12.800 -0.562 7.643 1.00 1.20 N ATOM 822 CA LYS A 54 12.941 -0.008 9.024 1.00 1.35 C ATOM 823 C LYS A 54 14.421 0.115 9.399 1.00 1.40 C ATOM 824 O LYS A 54 14.862 1.132 9.896 1.00 1.67 O ATOM 825 CB LYS A 54 12.242 -1.019 9.932 1.00 1.46 C ATOM 826 CG LYS A 54 11.171 -0.306 10.760 1.00 1.91 C ATOM 827 CD LYS A 54 11.844 0.627 11.770 1.00 2.50 C ATOM 828 CE LYS A 54 10.796 1.164 12.748 1.00 2.87 C ATOM 829 NZ LYS A 54 10.992 2.641 12.748 1.00 3.88 N ATOM 0 H LYS A 54 12.168 -1.358 7.557 1.00 1.20 H new ATOM 0 HA LYS A 54 12.507 0.988 9.113 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.788 -1.809 9.333 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.968 -1.496 10.590 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.510 0.264 10.107 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.552 -1.037 11.280 1.00 1.91 H new ATOM 0 HD2 LYS A 54 12.623 0.091 12.313 1.00 2.50 H new ATOM 0 HD3 LYS A 54 12.329 1.453 11.250 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.787 0.899 12.431 1.00 2.87 H new ATOM 0 HE3 LYS A 54 10.936 0.747 13.745 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.309 3.082 13.396 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 11.959 2.863 13.061 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 10.846 3.011 11.787 1.00 3.88 H new ATOM 843 N ALA A 55 15.191 -0.912 9.161 1.00 1.63 N ATOM 844 CA ALA A 55 16.640 -0.849 9.502 1.00 2.20 C ATOM 845 C ALA A 55 17.303 0.318 8.765 1.00 2.03 C ATOM 846 O ALA A 55 18.310 0.845 9.195 1.00 2.38 O ATOM 847 CB ALA A 55 17.217 -2.183 9.028 1.00 2.78 C ATOM 0 H ALA A 55 14.880 -1.790 8.746 1.00 1.63 H new ATOM 0 HA ALA A 55 16.809 -0.690 10.567 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.285 -2.215 9.244 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.717 -3.001 9.547 1.00 2.78 H new ATOM 0 HB3 ALA A 55 17.061 -2.286 7.954 1.00 2.78 H new ATOM 853 N GLU A 56 16.745 0.726 7.658 1.00 1.67 N ATOM 854 CA GLU A 56 17.342 1.860 6.893 1.00 1.70 C ATOM 855 C GLU A 56 16.601 3.161 7.215 1.00 1.53 C ATOM 856 O GLU A 56 17.154 4.239 7.134 1.00 1.98 O ATOM 857 CB GLU A 56 17.158 1.488 5.423 1.00 1.99 C ATOM 858 CG GLU A 56 18.076 0.315 5.075 1.00 2.69 C ATOM 859 CD GLU A 56 18.985 0.707 3.908 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.990 1.353 4.157 1.00 3.63 O ATOM 861 OE2 GLU A 56 18.660 0.356 2.786 1.00 3.64 O ATOM 0 H GLU A 56 15.901 0.324 7.249 1.00 1.67 H new ATOM 0 HA GLU A 56 18.391 2.021 7.143 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.119 1.220 5.232 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.388 2.344 4.789 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.677 0.040 5.942 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.482 -0.559 4.809 1.00 2.69 H new ATOM 868 N GLY A 57 15.352 3.065 7.579 1.00 1.58 N ATOM 869 CA GLY A 57 14.576 4.295 7.907 1.00 2.25 C ATOM 870 C GLY A 57 14.151 4.993 6.613 1.00 1.97 C ATOM 871 O GLY A 57 14.048 6.201 6.554 1.00 2.50 O ATOM 0 H GLY A 57 14.835 2.190 7.664 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.698 4.036 8.498 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.181 4.968 8.514 1.00 2.25 H new ATOM 875 N SER A 58 13.901 4.241 5.576 1.00 1.30 N ATOM 876 CA SER A 58 13.481 4.862 4.288 1.00 1.23 C ATOM 877 C SER A 58 12.238 5.731 4.500 1.00 1.03 C ATOM 878 O SER A 58 11.641 5.728 5.558 1.00 1.27 O ATOM 879 CB SER A 58 13.162 3.685 3.367 1.00 1.53 C ATOM 880 OG SER A 58 14.264 2.788 3.346 1.00 2.13 O ATOM 0 H SER A 58 13.969 3.223 5.565 1.00 1.30 H new ATOM 0 HA SER A 58 14.252 5.509 3.870 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.267 3.170 3.714 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.952 4.044 2.359 1.00 1.53 H new ATOM 0 HG SER A 58 14.059 2.032 2.757 1.00 2.13 H new ATOM 886 N GLU A 59 11.844 6.472 3.502 1.00 0.85 N ATOM 887 CA GLU A 59 10.639 7.339 3.649 1.00 0.87 C ATOM 888 C GLU A 59 9.414 6.670 3.017 1.00 0.76 C ATOM 889 O GLU A 59 8.412 7.307 2.760 1.00 1.06 O ATOM 890 CB GLU A 59 10.988 8.632 2.908 1.00 1.10 C ATOM 891 CG GLU A 59 11.267 8.317 1.436 1.00 1.05 C ATOM 892 CD GLU A 59 10.050 7.622 0.823 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.160 8.320 0.368 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.029 6.402 0.820 1.00 2.22 O ATOM 0 H GLU A 59 12.303 6.516 2.592 1.00 0.85 H new ATOM 0 HA GLU A 59 10.391 7.521 4.695 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.166 9.344 2.989 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.861 9.100 3.363 1.00 1.10 H new ATOM 0 HG2 GLU A 59 11.487 9.236 0.892 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.146 7.678 1.350 1.00 1.05 H new ATOM 901 N ILE A 60 9.484 5.390 2.761 1.00 0.59 N ATOM 902 CA ILE A 60 8.319 4.688 2.144 1.00 0.57 C ATOM 903 C ILE A 60 7.428 4.070 3.228 1.00 0.52 C ATOM 904 O ILE A 60 7.879 3.753 4.311 1.00 0.63 O ATOM 905 CB ILE A 60 8.927 3.599 1.252 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.637 2.549 2.114 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.936 4.228 0.289 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.227 1.467 1.209 1.00 1.60 C ATOM 0 H ILE A 60 10.295 4.801 2.952 1.00 0.59 H new ATOM 0 HA ILE A 60 7.688 5.370 1.574 1.00 0.57 H new ATOM 0 HB ILE A 60 8.129 3.119 0.686 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.426 3.018 2.702 1.00 1.46 H new ATOM 0 HG13 ILE A 60 8.934 2.106 2.820 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.367 3.452 -0.344 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.432 4.967 -0.334 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.729 4.714 0.858 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.733 0.718 1.819 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.427 0.992 0.641 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.942 1.918 0.521 1.00 1.60 H new ATOM 920 N ARG A 61 6.166 3.898 2.942 1.00 0.45 N ATOM 921 CA ARG A 61 5.244 3.302 3.951 1.00 0.45 C ATOM 922 C ARG A 61 4.262 2.343 3.271 1.00 0.41 C ATOM 923 O ARG A 61 4.056 2.396 2.074 1.00 0.55 O ATOM 924 CB ARG A 61 4.498 4.491 4.556 1.00 0.51 C ATOM 925 CG ARG A 61 5.089 4.824 5.926 1.00 0.75 C ATOM 926 CD ARG A 61 4.056 4.519 7.013 1.00 0.97 C ATOM 927 NE ARG A 61 4.803 3.758 8.052 1.00 1.30 N ATOM 928 CZ ARG A 61 5.064 4.313 9.205 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.714 5.444 9.252 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.676 3.736 10.309 1.00 2.19 N ATOM 0 H ARG A 61 5.733 4.145 2.052 1.00 0.45 H new ATOM 0 HA ARG A 61 5.777 2.726 4.708 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.574 5.355 3.896 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.438 4.257 4.653 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.994 4.241 6.095 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.375 5.875 5.965 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.633 5.436 7.423 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.226 3.934 6.616 1.00 0.97 H new ATOM 0 HE ARG A 61 5.111 2.804 7.863 1.00 1.30 H new ATOM 0 HH11 ARG A 61 6.018 5.894 8.388 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.918 5.878 10.152 1.00 2.21 H new ATOM 0 HH21 ARG A 61 4.169 2.852 10.271 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.880 4.169 11.210 1.00 2.19 H new ATOM 944 N LEU A 62 3.652 1.471 4.025 1.00 0.35 N ATOM 945 CA LEU A 62 2.680 0.512 3.425 1.00 0.36 C ATOM 946 C LEU A 62 1.341 0.600 4.159 1.00 0.32 C ATOM 947 O LEU A 62 1.281 0.993 5.309 1.00 0.38 O ATOM 948 CB LEU A 62 3.313 -0.867 3.617 1.00 0.48 C ATOM 949 CG LEU A 62 4.395 -1.083 2.558 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.689 -0.395 3.002 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.649 -2.582 2.386 1.00 1.22 C ATOM 0 H LEU A 62 3.784 1.380 5.032 1.00 0.35 H new ATOM 0 HA LEU A 62 2.482 0.722 2.374 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.745 -0.945 4.615 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.551 -1.643 3.538 1.00 0.48 H new ATOM 0 HG LEU A 62 4.064 -0.659 1.610 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.460 -0.549 2.247 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.510 0.673 3.125 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.020 -0.819 3.950 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.420 -2.736 1.631 1.00 1.22 H new ATOM 0 HD22 LEU A 62 4.979 -3.006 3.334 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.729 -3.073 2.070 1.00 1.22 H new ATOM 963 N ALA A 63 0.262 0.242 3.514 1.00 0.30 N ATOM 964 CA ALA A 63 -1.060 0.322 4.203 1.00 0.32 C ATOM 965 C ALA A 63 -2.087 -0.593 3.533 1.00 0.31 C ATOM 966 O ALA A 63 -1.840 -1.179 2.498 1.00 0.37 O ATOM 967 CB ALA A 63 -1.486 1.786 4.076 1.00 0.37 C ATOM 0 H ALA A 63 0.237 -0.098 2.553 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.992 -0.001 5.242 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.453 1.927 4.560 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.744 2.424 4.556 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.566 2.052 3.022 1.00 0.37 H new ATOM 973 N LYS A 64 -3.243 -0.717 4.121 1.00 0.30 N ATOM 974 CA LYS A 64 -4.294 -1.593 3.529 1.00 0.32 C ATOM 975 C LYS A 64 -5.669 -0.933 3.663 1.00 0.32 C ATOM 976 O LYS A 64 -5.895 -0.124 4.541 1.00 0.40 O ATOM 977 CB LYS A 64 -4.238 -2.881 4.351 1.00 0.38 C ATOM 978 CG LYS A 64 -3.265 -3.864 3.695 1.00 1.39 C ATOM 979 CD LYS A 64 -2.645 -4.762 4.768 1.00 1.60 C ATOM 980 CE LYS A 64 -2.612 -6.207 4.270 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.342 -7.024 5.487 1.00 2.26 N ATOM 0 H LYS A 64 -3.507 -0.249 4.988 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.131 -1.776 2.467 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.918 -2.661 5.370 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -5.231 -3.326 4.418 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.788 -4.471 2.956 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.483 -3.319 3.165 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -1.635 -4.424 5.001 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.223 -4.697 5.690 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.558 -6.487 3.807 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -1.835 -6.349 3.518 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -1.484 -7.594 5.340 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.204 -6.395 6.304 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.149 -7.654 5.668 1.00 2.26 H new ATOM 995 N VAL A 65 -6.589 -1.273 2.802 1.00 0.30 N ATOM 996 CA VAL A 65 -7.948 -0.666 2.885 1.00 0.32 C ATOM 997 C VAL A 65 -9.018 -1.748 2.740 1.00 0.31 C ATOM 998 O VAL A 65 -8.832 -2.733 2.055 1.00 0.36 O ATOM 999 CB VAL A 65 -8.023 0.314 1.713 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.424 0.929 1.649 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.986 1.422 1.907 1.00 0.70 C ATOM 0 H VAL A 65 -6.459 -1.944 2.045 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.118 -0.171 3.841 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.818 -0.216 0.783 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.477 1.627 0.814 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.162 0.139 1.509 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.632 1.459 2.579 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.039 2.120 1.072 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.190 1.952 2.837 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.989 0.984 1.950 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.142 -1.568 3.376 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.226 -2.584 3.269 1.00 0.39 C ATOM 1013 C ASP A 66 -12.271 -2.126 2.250 1.00 0.40 C ATOM 1014 O ASP A 66 -13.165 -1.364 2.563 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.833 -2.661 4.669 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.803 -3.244 5.640 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.108 -4.168 5.250 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.727 -2.757 6.755 1.00 1.30 O ATOM 0 H ASP A 66 -10.357 -0.763 3.964 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.859 -3.554 2.934 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.139 -1.668 4.999 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.728 -3.283 4.655 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.163 -2.580 1.030 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.148 -2.170 -0.016 1.00 0.46 C ATOM 1025 C ALA A 67 -14.578 -2.351 0.500 1.00 0.51 C ATOM 1026 O ALA A 67 -15.492 -1.668 0.082 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.882 -3.103 -1.197 1.00 0.51 C ATOM 0 H ALA A 67 -11.434 -3.218 0.711 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.043 -1.121 -0.293 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.568 -2.865 -2.010 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.855 -2.974 -1.539 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.033 -4.137 -0.885 1.00 0.51 H new ATOM 1033 N THR A 68 -14.774 -3.262 1.410 1.00 0.53 N ATOM 1034 CA THR A 68 -16.142 -3.485 1.959 1.00 0.62 C ATOM 1035 C THR A 68 -16.486 -2.387 2.973 1.00 0.64 C ATOM 1036 O THR A 68 -17.637 -2.167 3.295 1.00 0.86 O ATOM 1037 CB THR A 68 -16.077 -4.851 2.643 1.00 0.66 C ATOM 1038 OG1 THR A 68 -17.331 -5.138 3.246 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.985 -4.837 3.715 1.00 1.35 C ATOM 0 H THR A 68 -14.047 -3.863 1.798 1.00 0.53 H new ATOM 0 HA THR A 68 -16.910 -3.456 1.186 1.00 0.62 H new ATOM 0 HB THR A 68 -15.846 -5.617 1.902 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.291 -6.014 3.683 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.940 -5.811 4.201 1.00 1.35 H new ATOM 0 HG22 THR A 68 -14.023 -4.618 3.252 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.213 -4.071 4.457 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.498 -1.696 3.479 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.772 -0.615 4.469 1.00 0.61 C ATOM 1049 C GLU A 69 -15.425 0.752 3.872 1.00 0.57 C ATOM 1050 O GLU A 69 -16.250 1.643 3.816 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.865 -0.927 5.658 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.528 -0.438 6.948 1.00 0.83 C ATOM 1053 CD GLU A 69 -15.802 1.064 6.843 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -16.336 1.479 5.827 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.475 1.772 7.780 1.00 2.10 O ATOM 0 H GLU A 69 -14.514 -1.834 3.249 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.823 -0.577 4.757 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.679 -2.000 5.716 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.897 -0.443 5.528 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.460 -0.978 7.118 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.882 -0.642 7.802 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.209 0.929 3.427 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.815 2.241 2.838 1.00 0.57 C ATOM 1064 C GLU A 70 -13.940 2.198 1.312 1.00 0.72 C ATOM 1065 O GLU A 70 -13.070 2.646 0.594 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.357 2.437 3.254 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.282 2.620 4.772 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.056 1.883 5.316 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.021 1.941 4.675 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -11.175 1.274 6.367 1.00 1.97 O ATOM 0 H GLU A 70 -13.473 0.223 3.446 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.451 3.057 3.182 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.762 1.576 2.951 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.937 3.308 2.750 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.221 3.680 5.018 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.188 2.235 5.240 1.00 1.05 H new ATOM 1077 N SER A 71 -15.021 1.660 0.815 1.00 0.55 N ATOM 1078 CA SER A 71 -15.209 1.587 -0.664 1.00 0.66 C ATOM 1079 C SER A 71 -15.248 2.995 -1.267 1.00 0.70 C ATOM 1080 O SER A 71 -15.018 3.183 -2.445 1.00 0.94 O ATOM 1081 CB SER A 71 -16.553 0.882 -0.853 1.00 0.79 C ATOM 1082 OG SER A 71 -17.602 1.842 -0.817 1.00 1.48 O ATOM 0 H SER A 71 -15.783 1.268 1.369 1.00 0.55 H new ATOM 0 HA SER A 71 -14.395 1.057 -1.159 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.566 0.349 -1.804 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.699 0.139 -0.069 1.00 0.79 H new ATOM 0 HG SER A 71 -18.463 1.390 -0.940 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.543 3.983 -0.467 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.605 5.384 -0.987 1.00 0.71 C ATOM 1090 C ASP A 72 -14.370 5.706 -1.834 1.00 0.68 C ATOM 1091 O ASP A 72 -14.444 6.435 -2.804 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.639 6.265 0.262 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.948 7.058 0.293 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.114 7.923 -0.552 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.761 6.787 1.160 1.00 1.57 O ATOM 0 H ASP A 72 -15.745 3.883 0.528 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.472 5.542 -1.629 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.554 5.649 1.157 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.789 6.947 0.262 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.239 5.169 -1.476 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.003 5.446 -2.263 1.00 0.68 C ATOM 1102 C LEU A 73 -11.878 4.454 -3.419 1.00 0.60 C ATOM 1103 O LEU A 73 -11.500 4.809 -4.518 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.852 5.265 -1.274 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.049 6.205 -0.083 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.122 5.386 1.208 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -9.872 7.179 -0.002 1.00 0.97 C ATOM 0 H LEU A 73 -13.115 4.551 -0.674 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.009 6.444 -2.701 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.812 4.231 -0.932 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.901 5.476 -1.764 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.976 6.764 -0.212 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.262 6.056 2.056 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.960 4.692 1.151 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.195 4.827 1.337 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.012 7.849 0.846 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -8.945 6.620 0.126 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.819 7.763 -0.921 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.193 3.214 -3.178 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.095 2.197 -4.262 1.00 0.56 C ATOM 1121 C ALA A 74 -13.139 2.483 -5.343 1.00 0.59 C ATOM 1122 O ALA A 74 -12.874 2.360 -6.523 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.376 0.859 -3.579 1.00 0.60 C ATOM 0 H ALA A 74 -12.514 2.859 -2.277 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.121 2.203 -4.751 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.322 0.057 -4.315 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.635 0.686 -2.798 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.372 0.879 -3.136 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.321 2.875 -4.952 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.371 3.180 -5.965 1.00 0.76 C ATOM 1131 C GLN A 75 -14.925 4.366 -6.818 1.00 0.78 C ATOM 1132 O GLN A 75 -15.290 4.492 -7.970 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.619 3.535 -5.155 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.815 3.678 -6.098 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.050 3.045 -5.455 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.949 2.042 -4.776 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.220 3.592 -5.640 1.00 2.40 N ATOM 0 H GLN A 75 -14.604 2.997 -3.980 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.558 2.345 -6.641 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.817 2.761 -4.414 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.459 4.465 -4.609 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.001 4.731 -6.309 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.600 3.195 -7.051 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.305 4.434 -6.210 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.050 3.178 -5.215 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.127 5.234 -6.259 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.643 6.412 -7.032 1.00 0.84 C ATOM 1148 C GLN A 76 -12.844 5.945 -8.247 1.00 0.83 C ATOM 1149 O GLN A 76 -13.000 6.450 -9.341 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.741 7.176 -6.064 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.205 8.631 -5.973 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.419 8.723 -5.050 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.238 8.841 -3.763 1.00 2.20 O flip ATOM 1154 NE2 GLN A 76 -15.546 8.688 -5.502 1.00 1.97 N flip ATOM 0 H GLN A 76 -13.789 5.178 -5.298 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.461 7.030 -7.402 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.771 6.711 -5.078 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.706 7.134 -6.404 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.398 9.258 -5.593 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.460 9.005 -6.965 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.690 8.596 -6.508 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -16.349 8.751 -4.876 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.990 4.981 -8.059 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.177 4.472 -9.196 1.00 0.81 C ATOM 1165 C TYR A 77 -11.946 3.380 -9.939 1.00 0.83 C ATOM 1166 O TYR A 77 -11.978 3.343 -11.153 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.919 3.894 -8.550 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.119 5.009 -7.920 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.519 5.982 -8.728 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.976 5.068 -6.529 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.777 7.016 -8.143 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.234 6.101 -5.945 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.634 7.075 -6.753 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.901 8.093 -6.177 1.00 1.22 O ATOM 0 H TYR A 77 -11.819 4.522 -7.164 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.943 5.250 -9.923 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.191 3.156 -7.795 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.317 3.378 -9.298 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.628 5.935 -9.801 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.438 4.316 -5.906 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -7.315 7.768 -8.766 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.124 6.147 -4.872 1.00 1.19 H new ATOM 0 HH TYR A 77 -6.255 7.714 -5.545 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.562 2.491 -9.216 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.327 1.395 -9.872 1.00 0.87 C ATOM 1186 C GLY A 78 -12.760 0.056 -9.410 1.00 0.88 C ATOM 1187 O GLY A 78 -12.507 -0.832 -10.200 1.00 1.52 O ATOM 0 H GLY A 78 -12.570 2.475 -8.196 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.384 1.466 -9.615 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.256 1.481 -10.956 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.545 -0.088 -8.134 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.978 -1.359 -7.608 1.00 0.79 C ATOM 1193 C VAL A 79 -13.087 -2.246 -7.034 1.00 1.13 C ATOM 1194 O VAL A 79 -13.664 -1.949 -6.006 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.012 -0.920 -6.509 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.432 -2.152 -5.818 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.876 -0.102 -7.127 1.00 0.72 C ATOM 0 H VAL A 79 -12.739 0.623 -7.429 1.00 0.80 H new ATOM 0 HA VAL A 79 -11.484 -1.947 -8.382 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.545 -0.311 -5.779 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.743 -1.839 -5.034 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.240 -2.737 -5.378 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.899 -2.761 -6.548 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.186 0.212 -6.344 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.344 -0.712 -7.857 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.288 0.778 -7.621 1.00 0.72 H new ATOM 1207 N ARG A 80 -13.387 -3.334 -7.691 1.00 1.27 N ATOM 1208 CA ARG A 80 -14.451 -4.245 -7.190 1.00 1.72 C ATOM 1209 C ARG A 80 -14.028 -5.704 -7.390 1.00 1.38 C ATOM 1210 O ARG A 80 -14.810 -6.534 -7.809 1.00 1.87 O ATOM 1211 CB ARG A 80 -15.672 -3.918 -8.047 1.00 2.38 C ATOM 1212 CG ARG A 80 -16.558 -2.917 -7.306 1.00 2.85 C ATOM 1213 CD ARG A 80 -17.489 -3.666 -6.349 1.00 3.49 C ATOM 1214 NE ARG A 80 -18.627 -2.737 -6.114 1.00 4.06 N ATOM 1215 CZ ARG A 80 -19.847 -3.119 -6.383 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -20.134 -3.604 -7.560 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -20.779 -3.014 -5.475 1.00 5.09 N ATOM 0 H ARG A 80 -12.937 -3.631 -8.557 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.649 -4.115 -6.126 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -15.357 -3.503 -9.005 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -16.233 -4.827 -8.263 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.941 -2.211 -6.751 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -17.143 -2.336 -8.019 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -17.830 -4.605 -6.784 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -16.981 -3.912 -5.416 1.00 3.49 H new ATOM 0 HE ARG A 80 -18.455 -1.803 -5.743 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -19.406 -3.685 -8.270 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -21.086 -3.902 -7.770 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -20.555 -2.634 -4.556 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -21.732 -3.312 -5.685 1.00 5.09 H new ATOM 1231 N GLY A 81 -12.795 -6.019 -7.100 1.00 0.87 N ATOM 1232 CA GLY A 81 -12.319 -7.421 -7.281 1.00 0.81 C ATOM 1233 C GLY A 81 -11.237 -7.731 -6.251 1.00 0.74 C ATOM 1234 O GLY A 81 -11.333 -8.671 -5.489 1.00 1.17 O ATOM 0 H GLY A 81 -12.096 -5.366 -6.745 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -13.151 -8.116 -7.169 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.925 -7.555 -8.289 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.216 -6.925 -6.226 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.097 -7.120 -5.259 1.00 0.52 C ATOM 1240 C TYR A 82 -8.494 -8.532 -5.404 1.00 0.54 C ATOM 1241 O TYR A 82 -9.103 -9.394 -6.003 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.664 -6.918 -3.834 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.990 -6.176 -3.823 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.082 -4.897 -4.384 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.120 -6.772 -3.249 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.305 -4.214 -4.370 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.341 -6.089 -3.235 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.433 -4.810 -3.795 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.638 -4.135 -3.782 1.00 0.85 O ATOM 0 H TYR A 82 -10.105 -6.123 -6.846 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.301 -6.402 -5.455 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.794 -7.891 -3.359 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.940 -6.366 -3.236 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.211 -4.437 -4.827 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.049 -7.759 -2.817 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.377 -3.227 -4.803 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.212 -6.549 -2.792 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.319 -4.690 -3.347 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.305 -8.736 -4.857 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.562 -7.669 -4.124 1.00 0.51 C ATOM 1261 C PRO A 83 -5.959 -6.661 -5.109 1.00 0.51 C ATOM 1262 O PRO A 83 -5.214 -7.018 -5.999 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.463 -8.431 -3.393 1.00 0.59 C ATOM 1264 CG PRO A 83 -5.252 -9.677 -4.194 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.556 -10.000 -4.878 1.00 0.64 C ATOM 0 HA PRO A 83 -7.198 -7.095 -3.450 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.548 -7.842 -3.333 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.759 -8.665 -2.371 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.459 -9.532 -4.928 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.943 -10.500 -3.549 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -6.394 -10.348 -5.898 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -7.095 -10.789 -4.354 1.00 0.64 H new ATOM 1273 N THR A 84 -6.278 -5.403 -4.955 1.00 0.45 N ATOM 1274 CA THR A 84 -5.725 -4.374 -5.884 1.00 0.45 C ATOM 1275 C THR A 84 -4.676 -3.524 -5.163 1.00 0.43 C ATOM 1276 O THR A 84 -4.991 -2.750 -4.280 1.00 0.52 O ATOM 1277 CB THR A 84 -6.923 -3.509 -6.291 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.111 -4.288 -6.256 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.705 -2.972 -7.706 1.00 0.56 C ATOM 0 H THR A 84 -6.896 -5.044 -4.228 1.00 0.45 H new ATOM 0 HA THR A 84 -5.237 -4.824 -6.749 1.00 0.45 H new ATOM 0 HB THR A 84 -7.020 -2.675 -5.595 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.432 -4.437 -7.170 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.556 -2.357 -7.997 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.797 -2.370 -7.731 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.606 -3.806 -8.401 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.431 -3.659 -5.530 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.365 -2.857 -4.861 1.00 0.41 C ATOM 1289 C ILE A 85 -1.983 -1.654 -5.728 1.00 0.41 C ATOM 1290 O ILE A 85 -1.950 -1.734 -6.940 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.180 -3.811 -4.721 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.617 -5.052 -3.939 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.046 -3.110 -3.972 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.082 -6.133 -4.916 1.00 1.27 C ATOM 0 H ILE A 85 -3.105 -4.289 -6.263 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.690 -2.464 -3.897 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.832 -4.107 -5.711 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.790 -5.424 -3.335 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.424 -4.797 -3.252 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.799 -3.791 -3.872 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.264 -2.225 -4.527 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.392 -2.814 -2.982 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.393 -7.017 -4.359 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.922 -5.758 -5.501 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.263 -6.396 -5.585 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.692 -0.539 -5.114 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.312 0.670 -5.903 1.00 0.40 C ATOM 1308 C LYS A 86 -0.295 1.510 -5.123 1.00 0.38 C ATOM 1309 O LYS A 86 -0.322 1.564 -3.910 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.616 1.445 -6.092 1.00 0.48 C ATOM 1311 CG LYS A 86 -2.793 1.789 -7.572 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.770 0.799 -8.211 1.00 1.03 C ATOM 1313 CE LYS A 86 -3.138 0.190 -9.464 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.043 0.585 -10.579 1.00 1.73 N ATOM 0 H LYS A 86 -1.701 -0.412 -4.102 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.849 0.414 -6.856 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.460 0.850 -5.742 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.600 2.357 -5.495 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.168 2.807 -7.678 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -1.831 1.749 -8.083 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.023 0.012 -7.500 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.700 1.306 -8.470 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -2.128 0.569 -9.621 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -3.062 -0.894 -9.381 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -3.677 0.204 -11.475 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -4.995 0.205 -10.405 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -4.090 1.622 -10.637 1.00 1.73 H new ATOM 1328 N PHE A 87 0.601 2.166 -5.811 1.00 0.37 N ATOM 1329 CA PHE A 87 1.616 3.002 -5.105 1.00 0.36 C ATOM 1330 C PHE A 87 1.293 4.486 -5.290 1.00 0.33 C ATOM 1331 O PHE A 87 1.113 4.960 -6.393 1.00 0.37 O ATOM 1332 CB PHE A 87 2.951 2.648 -5.766 1.00 0.42 C ATOM 1333 CG PHE A 87 4.040 3.550 -5.232 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.220 3.687 -3.852 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.871 4.246 -6.119 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.231 4.519 -3.356 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.882 5.079 -5.623 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.056 5.224 -4.244 1.00 0.72 C ATOM 0 H PHE A 87 0.674 2.160 -6.828 1.00 0.37 H new ATOM 0 HA PHE A 87 1.636 2.815 -4.031 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.200 1.605 -5.569 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.873 2.758 -6.848 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.579 3.151 -3.168 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.732 4.140 -7.185 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.375 4.618 -2.290 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.528 5.610 -6.307 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.826 5.879 -3.862 1.00 0.72 H new ATOM 1348 N PHE A 88 1.217 5.223 -4.217 1.00 0.33 N ATOM 1349 CA PHE A 88 0.906 6.675 -4.334 1.00 0.35 C ATOM 1350 C PHE A 88 2.169 7.511 -4.109 1.00 0.42 C ATOM 1351 O PHE A 88 3.093 7.088 -3.442 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.126 6.941 -3.242 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.457 6.377 -3.675 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.998 6.740 -4.913 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.146 5.486 -2.844 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.228 6.215 -5.321 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.377 4.960 -3.252 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.919 5.324 -4.490 1.00 0.62 C ATOM 0 H PHE A 88 1.357 4.883 -3.265 1.00 0.33 H new ATOM 0 HA PHE A 88 0.531 6.942 -5.322 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.190 6.482 -2.305 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.213 8.012 -3.059 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.465 7.426 -5.554 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.728 5.205 -1.889 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.645 6.496 -6.277 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.909 4.273 -2.611 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.869 4.918 -4.804 1.00 0.62 H new ATOM 1368 N ARG A 89 2.221 8.690 -4.668 1.00 0.47 N ATOM 1369 CA ARG A 89 3.430 9.544 -4.490 1.00 0.55 C ATOM 1370 C ARG A 89 3.038 10.962 -4.068 1.00 0.64 C ATOM 1371 O ARG A 89 2.808 11.826 -4.890 1.00 1.05 O ATOM 1372 CB ARG A 89 4.104 9.562 -5.863 1.00 0.73 C ATOM 1373 CG ARG A 89 5.468 10.251 -5.752 1.00 1.15 C ATOM 1374 CD ARG A 89 5.917 10.725 -7.137 1.00 1.42 C ATOM 1375 NE ARG A 89 6.552 12.052 -6.903 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.834 12.204 -7.095 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.388 11.768 -8.194 1.00 2.56 N ATOM 1378 NH2 ARG A 89 8.563 12.792 -6.187 1.00 2.43 N ATOM 0 H ARG A 89 1.480 9.098 -5.239 1.00 0.47 H new ATOM 0 HA ARG A 89 4.088 9.160 -3.711 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.228 8.544 -6.233 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.476 10.088 -6.582 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.404 11.098 -5.069 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.203 9.561 -5.337 1.00 1.15 H new ATOM 0 HD2 ARG A 89 6.621 10.024 -7.585 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.071 10.807 -7.820 1.00 1.42 H new ATOM 0 HE ARG A 89 5.985 12.841 -6.593 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.819 11.308 -8.904 1.00 2.56 H new ATOM 0 HH12 ARG A 89 9.390 11.888 -8.342 1.00 2.56 H new ATOM 0 HH21 ARG A 89 8.131 13.132 -5.328 1.00 2.43 H new ATOM 0 HH22 ARG A 89 9.565 12.911 -6.336 1.00 2.43 H new ATOM 1392 N ASN A 90 2.973 11.210 -2.787 1.00 0.57 N ATOM 1393 CA ASN A 90 2.611 12.575 -2.299 1.00 0.68 C ATOM 1394 C ASN A 90 1.369 13.109 -3.024 1.00 0.69 C ATOM 1395 O ASN A 90 1.448 14.040 -3.801 1.00 0.98 O ATOM 1396 CB ASN A 90 3.831 13.438 -2.623 1.00 0.87 C ATOM 1397 CG ASN A 90 3.646 14.831 -2.017 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.261 15.133 -0.906 1.00 1.65 O flip ATOM 1399 ND2 ASN A 90 2.936 15.653 -2.562 1.00 1.74 N flip ATOM 0 H ASN A 90 3.155 10.524 -2.054 1.00 0.57 H new ATOM 0 HA ASN A 90 2.369 12.576 -1.236 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.734 12.974 -2.226 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.960 13.514 -3.703 1.00 0.87 H new ATOM 0 HD21 ASN A 90 2.456 15.416 -3.430 1.00 1.74 H new ATOM 0 HD22 ASN A 90 2.820 16.579 -2.151 1.00 1.74 H new ATOM 1406 N GLY A 91 0.224 12.534 -2.770 1.00 0.65 N ATOM 1407 CA GLY A 91 -1.015 13.021 -3.440 1.00 0.75 C ATOM 1408 C GLY A 91 -0.908 12.811 -4.950 1.00 0.79 C ATOM 1409 O GLY A 91 -0.318 13.603 -5.658 1.00 1.19 O ATOM 0 H GLY A 91 0.094 11.751 -2.130 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.883 12.488 -3.051 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.166 14.078 -3.221 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.481 11.751 -5.449 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.421 11.489 -6.916 1.00 1.27 C ATOM 1415 C ASP A 92 -2.837 11.460 -7.500 1.00 1.14 C ATOM 1416 O ASP A 92 -3.226 12.340 -8.243 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.757 10.119 -7.047 1.00 1.93 C ATOM 1418 CG ASP A 92 0.550 10.261 -7.830 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.216 11.268 -7.653 1.00 2.68 O ATOM 1420 OD2 ASP A 92 0.861 9.362 -8.594 1.00 2.41 O ATOM 0 H ASP A 92 -1.989 11.054 -4.905 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.869 12.260 -7.454 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.559 9.703 -6.059 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.426 9.426 -7.557 1.00 1.93 H new ATOM 1425 N THR A 93 -3.606 10.454 -7.163 1.00 0.96 N ATOM 1426 CA THR A 93 -5.009 10.342 -7.681 1.00 1.33 C ATOM 1427 C THR A 93 -5.083 10.694 -9.172 1.00 1.26 C ATOM 1428 O THR A 93 -6.082 11.189 -9.654 1.00 1.90 O ATOM 1429 CB THR A 93 -5.825 11.340 -6.854 1.00 1.74 C ATOM 1430 OG1 THR A 93 -5.257 12.636 -6.973 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.821 10.913 -5.386 1.00 1.92 C ATOM 0 H THR A 93 -3.320 9.696 -6.544 1.00 0.96 H new ATOM 0 HA THR A 93 -5.387 9.324 -7.589 1.00 1.33 H new ATOM 0 HB THR A 93 -6.851 11.360 -7.223 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.751 12.696 -7.810 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.402 11.624 -4.799 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.262 9.921 -5.295 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.796 10.890 -5.017 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.034 10.441 -9.905 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.049 10.762 -11.360 1.00 1.18 C ATOM 1441 C ALA A 94 -3.213 9.740 -12.132 1.00 1.14 C ATOM 1442 O ALA A 94 -3.733 8.907 -12.847 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.431 12.157 -11.467 1.00 1.24 C ATOM 0 H ALA A 94 -3.168 10.026 -9.560 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.054 10.732 -11.780 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.407 12.465 -12.512 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.030 12.865 -10.894 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.416 12.136 -11.071 1.00 1.24 H new ATOM 1449 N SER A 95 -1.921 9.797 -11.989 1.00 1.20 N ATOM 1450 CA SER A 95 -1.046 8.827 -12.708 1.00 1.22 C ATOM 1451 C SER A 95 -0.190 8.042 -11.705 1.00 0.98 C ATOM 1452 O SER A 95 1.023 8.083 -11.766 1.00 0.98 O ATOM 1453 CB SER A 95 -0.161 9.685 -13.613 1.00 1.48 C ATOM 1454 OG SER A 95 0.277 10.831 -12.898 1.00 2.01 O ATOM 0 H SER A 95 -1.430 10.474 -11.405 1.00 1.20 H new ATOM 0 HA SER A 95 -1.620 8.096 -13.276 1.00 1.22 H new ATOM 0 HB2 SER A 95 0.697 9.106 -13.955 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.716 9.987 -14.501 1.00 1.48 H new ATOM 0 HG SER A 95 0.846 11.380 -13.477 1.00 2.01 H new ATOM 1460 N PRO A 96 -0.851 7.348 -10.809 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.128 6.548 -9.790 1.00 0.72 C ATOM 1462 C PRO A 96 0.526 5.327 -10.441 1.00 0.65 C ATOM 1463 O PRO A 96 0.290 5.028 -11.594 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.226 6.130 -8.815 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.488 6.167 -9.618 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.311 7.237 -10.664 1.00 1.02 C ATOM 0 HA PRO A 96 0.676 7.098 -9.301 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.041 5.133 -8.415 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.279 6.810 -7.964 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.678 5.200 -10.083 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.345 6.388 -8.981 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.786 6.959 -11.605 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -2.755 8.182 -10.349 1.00 1.02 H new ATOM 1474 N LYS A 97 1.349 4.619 -9.716 1.00 0.55 N ATOM 1475 CA LYS A 97 2.013 3.421 -10.305 1.00 0.57 C ATOM 1476 C LYS A 97 1.367 2.142 -9.767 1.00 0.53 C ATOM 1477 O LYS A 97 0.664 2.160 -8.777 1.00 0.89 O ATOM 1478 CB LYS A 97 3.473 3.513 -9.862 1.00 0.68 C ATOM 1479 CG LYS A 97 4.256 4.367 -10.863 1.00 0.85 C ATOM 1480 CD LYS A 97 5.597 4.776 -10.249 1.00 1.63 C ATOM 1481 CE LYS A 97 6.631 4.971 -11.359 1.00 2.05 C ATOM 1482 NZ LYS A 97 7.372 6.207 -10.982 1.00 2.61 N ATOM 0 H LYS A 97 1.590 4.817 -8.745 1.00 0.55 H new ATOM 0 HA LYS A 97 1.921 3.392 -11.391 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.535 3.952 -8.866 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.909 2.516 -9.799 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.421 3.807 -11.783 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.680 5.254 -11.129 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.482 5.698 -9.680 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.937 4.011 -9.551 1.00 1.63 H new ATOM 0 HE2 LYS A 97 7.302 4.115 -11.429 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.151 5.080 -12.331 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 8.100 6.407 -11.697 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 6.709 7.007 -10.930 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.825 6.071 -10.055 1.00 2.61 H new ATOM 1496 N GLU A 98 1.601 1.033 -10.413 1.00 0.51 N ATOM 1497 CA GLU A 98 0.997 -0.244 -9.939 1.00 0.48 C ATOM 1498 C GLU A 98 2.093 -1.251 -9.585 1.00 0.45 C ATOM 1499 O GLU A 98 3.190 -1.202 -10.107 1.00 0.61 O ATOM 1500 CB GLU A 98 0.165 -0.749 -11.117 1.00 0.61 C ATOM 1501 CG GLU A 98 1.065 -0.926 -12.341 1.00 1.33 C ATOM 1502 CD GLU A 98 0.891 -2.339 -12.903 1.00 2.10 C ATOM 1503 OE1 GLU A 98 1.236 -3.279 -12.206 1.00 2.79 O ATOM 1504 OE2 GLU A 98 0.416 -2.456 -14.020 1.00 2.61 O ATOM 0 H GLU A 98 2.183 0.956 -11.247 1.00 0.51 H new ATOM 0 HA GLU A 98 0.393 -0.106 -9.042 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.309 -1.697 -10.861 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.635 -0.043 -11.340 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.812 -0.187 -13.101 1.00 1.33 H new ATOM 0 HG3 GLU A 98 2.107 -0.758 -12.067 1.00 1.33 H new ATOM 1511 N TYR A 99 1.804 -2.167 -8.701 1.00 0.45 N ATOM 1512 CA TYR A 99 2.824 -3.180 -8.312 1.00 0.46 C ATOM 1513 C TYR A 99 2.661 -4.441 -9.166 1.00 0.53 C ATOM 1514 O TYR A 99 1.582 -4.988 -9.281 1.00 0.67 O ATOM 1515 CB TYR A 99 2.536 -3.479 -6.841 1.00 0.52 C ATOM 1516 CG TYR A 99 3.493 -4.534 -6.340 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.867 -4.272 -6.310 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.007 -5.774 -5.909 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.756 -5.248 -5.848 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.895 -6.751 -5.446 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.265 -6.490 -5.405 1.00 1.70 C ATOM 1522 OH TYR A 99 6.146 -7.459 -4.957 1.00 2.27 O ATOM 0 H TYR A 99 0.903 -2.257 -8.231 1.00 0.45 H new ATOM 0 HA TYR A 99 3.844 -2.827 -8.462 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.639 -2.570 -6.248 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.508 -3.822 -6.724 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.241 -3.316 -6.644 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.946 -5.977 -5.934 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.817 -5.049 -5.831 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.519 -7.709 -5.120 1.00 2.05 H new ATOM 0 HH TYR A 99 5.642 -8.221 -4.603 1.00 2.27 H new ATOM 1532 N THR A 100 3.720 -4.901 -9.775 1.00 0.60 N ATOM 1533 CA THR A 100 3.619 -6.120 -10.629 1.00 0.72 C ATOM 1534 C THR A 100 3.978 -7.374 -9.827 1.00 0.83 C ATOM 1535 O THR A 100 3.271 -8.363 -9.856 1.00 1.71 O ATOM 1536 CB THR A 100 4.634 -5.899 -11.753 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.926 -5.716 -11.193 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.244 -4.657 -12.559 1.00 1.13 C ATOM 0 H THR A 100 4.650 -4.486 -9.719 1.00 0.60 H new ATOM 0 HA THR A 100 2.608 -6.269 -11.008 1.00 0.72 H new ATOM 0 HB THR A 100 4.643 -6.768 -12.411 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.577 -5.576 -11.912 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.967 -4.501 -13.359 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.252 -4.799 -12.989 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.234 -3.786 -11.903 1.00 1.13 H new ATOM 1546 N ALA A 101 5.072 -7.346 -9.115 1.00 0.83 N ATOM 1547 CA ALA A 101 5.477 -8.541 -8.319 1.00 1.01 C ATOM 1548 C ALA A 101 4.371 -8.924 -7.329 1.00 1.36 C ATOM 1549 O ALA A 101 3.249 -8.468 -7.433 1.00 1.98 O ATOM 1550 CB ALA A 101 6.742 -8.110 -7.578 1.00 0.87 C ATOM 0 H ALA A 101 5.703 -6.547 -9.050 1.00 0.83 H new ATOM 0 HA ALA A 101 5.650 -9.416 -8.946 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.105 -8.936 -6.967 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.508 -7.828 -8.300 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.516 -7.257 -6.938 1.00 0.87 H new ATOM 1556 N GLY A 102 4.675 -9.758 -6.371 1.00 1.17 N ATOM 1557 CA GLY A 102 3.636 -10.166 -5.383 1.00 1.71 C ATOM 1558 C GLY A 102 3.866 -11.618 -4.968 1.00 1.08 C ATOM 1559 O GLY A 102 3.021 -12.471 -5.155 1.00 1.27 O ATOM 0 H GLY A 102 5.596 -10.173 -6.230 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.676 -9.517 -4.509 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.643 -10.054 -5.818 1.00 1.71 H new ATOM 1563 N ARG A 103 5.002 -11.901 -4.400 1.00 0.90 N ATOM 1564 CA ARG A 103 5.295 -13.295 -3.962 1.00 1.11 C ATOM 1565 C ARG A 103 5.665 -13.299 -2.478 1.00 0.94 C ATOM 1566 O ARG A 103 5.173 -14.095 -1.703 1.00 1.04 O ATOM 1567 CB ARG A 103 6.485 -13.737 -4.814 1.00 1.71 C ATOM 1568 CG ARG A 103 6.214 -15.129 -5.390 1.00 2.44 C ATOM 1569 CD ARG A 103 7.416 -15.577 -6.225 1.00 3.16 C ATOM 1570 NE ARG A 103 6.861 -16.546 -7.211 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.610 -16.160 -8.433 1.00 4.34 C ATOM 1572 NH1 ARG A 103 6.145 -14.961 -8.657 1.00 4.84 N ATOM 1573 NH2 ARG A 103 6.825 -16.974 -9.431 1.00 4.81 N ATOM 0 H ARG A 103 5.744 -11.226 -4.219 1.00 0.90 H new ATOM 0 HA ARG A 103 4.442 -13.962 -4.085 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.652 -13.024 -5.622 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.392 -13.752 -4.210 1.00 1.71 H new ATOM 0 HG2 ARG A 103 6.033 -15.839 -4.583 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.315 -15.111 -6.007 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.886 -14.731 -6.725 1.00 3.16 H new ATOM 0 HD3 ARG A 103 8.179 -16.042 -5.601 1.00 3.16 H new ATOM 0 HE ARG A 103 6.677 -17.510 -6.932 1.00 3.73 H new ATOM 0 HH11 ARG A 103 5.978 -14.325 -7.877 1.00 4.84 H new ATOM 0 HH12 ARG A 103 5.949 -14.660 -9.612 1.00 4.84 H new ATOM 0 HH21 ARG A 103 7.189 -17.911 -9.256 1.00 4.81 H new ATOM 0 HH22 ARG A 103 6.629 -16.673 -10.386 1.00 4.81 H new ATOM 1587 N GLU A 104 6.525 -12.406 -2.085 1.00 0.75 N ATOM 1588 CA GLU A 104 6.938 -12.334 -0.657 1.00 0.66 C ATOM 1589 C GLU A 104 7.256 -10.884 -0.284 1.00 0.56 C ATOM 1590 O GLU A 104 7.537 -10.065 -1.136 1.00 0.57 O ATOM 1591 CB GLU A 104 8.193 -13.203 -0.564 1.00 0.79 C ATOM 1592 CG GLU A 104 7.789 -14.669 -0.411 1.00 1.59 C ATOM 1593 CD GLU A 104 9.039 -15.551 -0.450 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.616 -15.774 0.602 1.00 2.04 O ATOM 1595 OE2 GLU A 104 9.398 -15.987 -1.531 1.00 2.51 O ATOM 0 H GLU A 104 6.964 -11.717 -2.696 1.00 0.75 H new ATOM 0 HA GLU A 104 6.158 -12.677 0.023 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.804 -13.075 -1.458 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.801 -12.892 0.285 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.258 -14.814 0.530 1.00 1.59 H new ATOM 0 HG3 GLU A 104 7.105 -14.954 -1.211 1.00 1.59 H new ATOM 1602 N ALA A 105 7.204 -10.559 0.982 1.00 0.50 N ATOM 1603 CA ALA A 105 7.494 -9.159 1.424 1.00 0.44 C ATOM 1604 C ALA A 105 8.731 -8.589 0.716 1.00 0.45 C ATOM 1605 O ALA A 105 8.845 -7.397 0.517 1.00 0.47 O ATOM 1606 CB ALA A 105 7.748 -9.272 2.926 1.00 0.47 C ATOM 0 H ALA A 105 6.972 -11.207 1.735 1.00 0.50 H new ATOM 0 HA ALA A 105 6.672 -8.485 1.184 1.00 0.44 H new ATOM 0 HB1 ALA A 105 7.970 -8.285 3.333 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.862 -9.676 3.416 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.594 -9.936 3.103 1.00 0.47 H new ATOM 1612 N ASP A 106 9.657 -9.425 0.337 1.00 0.51 N ATOM 1613 CA ASP A 106 10.876 -8.915 -0.351 1.00 0.56 C ATOM 1614 C ASP A 106 10.538 -8.480 -1.781 1.00 0.54 C ATOM 1615 O ASP A 106 11.187 -7.625 -2.351 1.00 0.64 O ATOM 1616 CB ASP A 106 11.847 -10.097 -0.358 1.00 0.67 C ATOM 1617 CG ASP A 106 11.265 -11.238 -1.196 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.052 -11.320 -1.286 1.00 1.82 O ATOM 1619 OD2 ASP A 106 12.043 -12.008 -1.734 1.00 2.02 O ATOM 0 H ASP A 106 9.623 -10.435 0.473 1.00 0.51 H new ATOM 0 HA ASP A 106 11.300 -8.043 0.148 1.00 0.56 H new ATOM 0 HB2 ASP A 106 12.809 -9.787 -0.766 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.028 -10.437 0.662 1.00 0.67 H new ATOM 1624 N ASP A 107 9.526 -9.060 -2.364 1.00 0.50 N ATOM 1625 CA ASP A 107 9.149 -8.672 -3.754 1.00 0.52 C ATOM 1626 C ASP A 107 8.534 -7.272 -3.755 1.00 0.51 C ATOM 1627 O ASP A 107 8.614 -6.546 -4.725 1.00 0.63 O ATOM 1628 CB ASP A 107 8.118 -9.709 -4.200 1.00 0.55 C ATOM 1629 CG ASP A 107 8.836 -10.901 -4.837 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.496 -10.701 -5.844 1.00 1.41 O ATOM 1631 OD2 ASP A 107 8.712 -11.993 -4.308 1.00 1.39 O ATOM 0 H ASP A 107 8.945 -9.784 -1.941 1.00 0.50 H new ATOM 0 HA ASP A 107 10.010 -8.648 -4.422 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.527 -10.041 -3.346 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.425 -9.264 -4.914 1.00 0.55 H new ATOM 1636 N ILE A 108 7.914 -6.893 -2.672 1.00 0.46 N ATOM 1637 CA ILE A 108 7.288 -5.543 -2.604 1.00 0.52 C ATOM 1638 C ILE A 108 8.314 -4.499 -2.152 1.00 0.50 C ATOM 1639 O ILE A 108 8.432 -3.441 -2.739 1.00 0.52 O ATOM 1640 CB ILE A 108 6.169 -5.683 -1.573 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.110 -6.650 -2.108 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.527 -4.318 -1.317 1.00 0.67 C ATOM 1643 CD1 ILE A 108 3.997 -6.812 -1.073 1.00 0.68 C ATOM 0 H ILE A 108 7.814 -7.460 -1.830 1.00 0.46 H new ATOM 0 HA ILE A 108 6.913 -5.211 -3.572 1.00 0.52 H new ATOM 0 HB ILE A 108 6.582 -6.066 -0.640 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.698 -6.273 -3.044 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.563 -7.618 -2.325 1.00 0.73 H new ATOM 0 HG21 ILE A 108 4.730 -4.423 -0.581 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.280 -3.627 -0.939 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.113 -3.930 -2.248 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.243 -7.501 -1.454 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.415 -7.208 -0.148 1.00 0.68 H new ATOM 0 HD13 ILE A 108 3.538 -5.843 -0.878 1.00 0.68 H new ATOM 1655 N VAL A 109 9.056 -4.783 -1.117 1.00 0.51 N ATOM 1656 CA VAL A 109 10.067 -3.796 -0.640 1.00 0.56 C ATOM 1657 C VAL A 109 11.013 -3.429 -1.781 1.00 0.51 C ATOM 1658 O VAL A 109 11.344 -2.278 -1.989 1.00 0.55 O ATOM 1659 CB VAL A 109 10.819 -4.499 0.498 1.00 0.67 C ATOM 1660 CG1 VAL A 109 11.694 -5.636 -0.036 1.00 0.86 C ATOM 1661 CG2 VAL A 109 11.703 -3.481 1.213 1.00 0.81 C ATOM 0 H VAL A 109 9.007 -5.651 -0.583 1.00 0.51 H new ATOM 0 HA VAL A 109 9.611 -2.867 -0.296 1.00 0.56 H new ATOM 0 HB VAL A 109 10.088 -4.922 1.186 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.214 -6.115 0.793 1.00 0.86 H new ATOM 0 HG12 VAL A 109 11.068 -6.370 -0.544 1.00 0.86 H new ATOM 0 HG13 VAL A 109 12.424 -5.234 -0.739 1.00 0.86 H new ATOM 0 HG21 VAL A 109 12.241 -3.972 2.024 1.00 0.81 H new ATOM 0 HG22 VAL A 109 12.418 -3.059 0.506 1.00 0.81 H new ATOM 0 HG23 VAL A 109 11.082 -2.683 1.621 1.00 0.81 H new ATOM 1671 N ASN A 110 11.441 -4.403 -2.522 1.00 0.50 N ATOM 1672 CA ASN A 110 12.364 -4.129 -3.659 1.00 0.52 C ATOM 1673 C ASN A 110 11.703 -3.165 -4.642 1.00 0.50 C ATOM 1674 O ASN A 110 12.275 -2.166 -5.027 1.00 0.59 O ATOM 1675 CB ASN A 110 12.605 -5.488 -4.316 1.00 0.59 C ATOM 1676 CG ASN A 110 13.944 -6.056 -3.841 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.928 -5.997 -4.551 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.023 -6.608 -2.662 1.00 1.29 N ATOM 0 H ASN A 110 11.193 -5.384 -2.392 1.00 0.50 H new ATOM 0 HA ASN A 110 13.297 -3.668 -3.335 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.797 -6.174 -4.063 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.607 -5.384 -5.401 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.911 -6.990 -2.336 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.197 -6.658 -2.066 1.00 1.29 H new ATOM 1685 N TRP A 111 10.499 -3.453 -5.042 1.00 0.46 N ATOM 1686 CA TRP A 111 9.795 -2.548 -5.994 1.00 0.51 C ATOM 1687 C TRP A 111 9.589 -1.174 -5.351 1.00 0.55 C ATOM 1688 O TRP A 111 9.395 -0.184 -6.028 1.00 0.66 O ATOM 1689 CB TRP A 111 8.450 -3.224 -6.262 1.00 0.55 C ATOM 1690 CG TRP A 111 7.978 -2.870 -7.637 1.00 0.58 C ATOM 1691 CD1 TRP A 111 8.227 -3.592 -8.753 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.180 -1.725 -8.058 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.634 -2.963 -9.834 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.978 -1.808 -9.457 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.621 -0.632 -7.372 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.244 -0.844 -10.148 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.881 0.340 -8.065 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.694 0.236 -9.450 1.00 1.14 C ATOM 0 H TRP A 111 9.970 -4.275 -4.752 1.00 0.46 H new ATOM 0 HA TRP A 111 10.359 -2.390 -6.913 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.549 -4.305 -6.167 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.717 -2.905 -5.521 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.796 -4.509 -8.794 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.676 -3.310 -10.792 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.762 -0.539 -6.305 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 6.101 -0.931 -11.215 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.453 1.173 -7.527 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.126 0.988 -9.977 1.00 1.14 H new ATOM 1709 N LEU A 112 9.633 -1.107 -4.046 1.00 0.55 N ATOM 1710 CA LEU A 112 9.444 0.201 -3.358 1.00 0.65 C ATOM 1711 C LEU A 112 10.783 0.935 -3.241 1.00 0.65 C ATOM 1712 O LEU A 112 10.896 2.097 -3.577 1.00 0.75 O ATOM 1713 CB LEU A 112 8.909 -0.155 -1.970 1.00 0.74 C ATOM 1714 CG LEU A 112 7.505 0.428 -1.795 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.562 1.951 -1.936 1.00 1.10 C ATOM 1716 CD2 LEU A 112 6.575 -0.149 -2.863 1.00 1.49 C ATOM 0 H LEU A 112 9.792 -1.903 -3.428 1.00 0.55 H new ATOM 0 HA LEU A 112 8.766 0.858 -3.902 1.00 0.65 H new ATOM 0 HB2 LEU A 112 8.882 -1.238 -1.846 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.575 0.237 -1.201 1.00 0.74 H new ATOM 0 HG LEU A 112 7.126 0.169 -0.806 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.562 2.366 -1.811 1.00 1.10 H new ATOM 0 HD12 LEU A 112 8.223 2.363 -1.173 1.00 1.10 H new ATOM 0 HD13 LEU A 112 7.942 2.211 -2.924 1.00 1.10 H new ATOM 0 HD21 LEU A 112 5.575 0.267 -2.738 1.00 1.49 H new ATOM 0 HD22 LEU A 112 6.954 0.108 -3.852 1.00 1.49 H new ATOM 0 HD23 LEU A 112 6.533 -1.233 -2.761 1.00 1.49 H new ATOM 1728 N LYS A 113 11.798 0.266 -2.763 1.00 0.62 N ATOM 1729 CA LYS A 113 13.127 0.933 -2.622 1.00 0.70 C ATOM 1730 C LYS A 113 13.872 0.965 -3.967 1.00 0.75 C ATOM 1731 O LYS A 113 14.947 1.521 -4.071 1.00 1.01 O ATOM 1732 CB LYS A 113 13.890 0.083 -1.600 1.00 0.79 C ATOM 1733 CG LYS A 113 14.188 -1.301 -2.183 1.00 1.42 C ATOM 1734 CD LYS A 113 14.497 -2.277 -1.046 1.00 1.84 C ATOM 1735 CE LYS A 113 15.885 -1.975 -0.478 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.172 -3.104 0.450 1.00 2.86 N ATOM 0 H LYS A 113 11.766 -0.709 -2.465 1.00 0.62 H new ATOM 0 HA LYS A 113 13.029 1.970 -2.302 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.821 0.579 -1.326 1.00 0.79 H new ATOM 0 HB3 LYS A 113 13.302 -0.017 -0.688 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.334 -1.656 -2.760 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.034 -1.244 -2.868 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.745 -2.189 -0.262 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.457 -3.303 -1.412 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.632 -1.915 -1.270 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.898 -1.019 0.046 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.109 -2.970 0.881 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.449 -3.132 1.197 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.159 -4.000 -0.078 1.00 2.86 H new ATOM 1750 N LYS A 114 13.317 0.378 -4.994 1.00 0.71 N ATOM 1751 CA LYS A 114 14.010 0.385 -6.315 1.00 0.89 C ATOM 1752 C LYS A 114 14.262 1.823 -6.778 1.00 1.07 C ATOM 1753 O LYS A 114 15.156 2.084 -7.559 1.00 1.31 O ATOM 1754 CB LYS A 114 13.053 -0.326 -7.273 1.00 0.92 C ATOM 1755 CG LYS A 114 13.641 -0.313 -8.684 1.00 1.45 C ATOM 1756 CD LYS A 114 12.974 0.794 -9.503 1.00 1.77 C ATOM 1757 CE LYS A 114 11.521 0.409 -9.791 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.554 -0.233 -11.134 1.00 3.00 N ATOM 0 H LYS A 114 12.418 -0.104 -4.976 1.00 0.71 H new ATOM 0 HA LYS A 114 14.981 -0.107 -6.270 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.889 -1.353 -6.945 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.082 0.169 -7.268 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.718 -0.149 -8.640 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.485 -1.279 -9.164 1.00 1.45 H new ATOM 0 HD2 LYS A 114 13.011 1.737 -8.958 1.00 1.77 H new ATOM 0 HD3 LYS A 114 13.514 0.945 -10.438 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.136 -0.276 -9.035 1.00 2.49 H new ATOM 0 HE3 LYS A 114 10.872 1.285 -9.788 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.593 -0.525 -11.403 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.918 0.445 -11.834 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.174 -1.067 -11.105 1.00 3.00 H new ATOM 1772 N ARG A 115 13.484 2.758 -6.304 1.00 1.09 N ATOM 1773 CA ARG A 115 13.686 4.175 -6.721 1.00 1.40 C ATOM 1774 C ARG A 115 14.860 4.790 -5.954 1.00 1.25 C ATOM 1775 O ARG A 115 15.524 5.689 -6.430 1.00 1.55 O ATOM 1776 CB ARG A 115 12.381 4.887 -6.364 1.00 1.86 C ATOM 1777 CG ARG A 115 11.697 5.371 -7.644 1.00 2.43 C ATOM 1778 CD ARG A 115 12.554 6.451 -8.308 1.00 2.92 C ATOM 1779 NE ARG A 115 12.381 6.232 -9.771 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.549 7.222 -10.604 1.00 3.99 C ATOM 1781 NH1 ARG A 115 13.649 7.923 -10.571 1.00 4.52 N ATOM 1782 NH2 ARG A 115 11.616 7.511 -11.470 1.00 4.34 N ATOM 0 H ARG A 115 12.719 2.603 -5.648 1.00 1.09 H new ATOM 0 HA ARG A 115 13.919 4.262 -7.782 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.722 4.210 -5.821 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.584 5.732 -5.706 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.552 4.536 -8.329 1.00 2.43 H new ATOM 0 HG3 ARG A 115 10.709 5.768 -7.412 1.00 2.43 H new ATOM 0 HD2 ARG A 115 12.227 7.449 -8.017 1.00 2.92 H new ATOM 0 HD3 ARG A 115 13.600 6.360 -8.016 1.00 2.92 H new ATOM 0 HE ARG A 115 12.131 5.307 -10.122 1.00 3.45 H new ATOM 0 HH11 ARG A 115 14.378 7.697 -9.894 1.00 4.52 H new ATOM 0 HH12 ARG A 115 13.780 8.697 -11.222 1.00 4.52 H new ATOM 0 HH21 ARG A 115 10.756 6.963 -11.495 1.00 4.34 H new ATOM 0 HH22 ARG A 115 11.747 8.285 -12.121 1.00 4.34 H new ATOM 1796 N THR A 116 15.120 4.312 -4.768 1.00 1.09 N ATOM 1797 CA THR A 116 16.250 4.869 -3.971 1.00 1.33 C ATOM 1798 C THR A 116 17.572 4.225 -4.402 1.00 1.97 C ATOM 1799 O THR A 116 18.605 4.864 -4.427 1.00 2.63 O ATOM 1800 CB THR A 116 15.929 4.514 -2.518 1.00 1.60 C ATOM 1801 OG1 THR A 116 15.731 3.111 -2.409 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.660 5.246 -2.080 1.00 1.81 C ATOM 0 H THR A 116 14.599 3.560 -4.316 1.00 1.09 H new ATOM 0 HA THR A 116 16.360 5.944 -4.111 1.00 1.33 H new ATOM 0 HB THR A 116 16.758 4.816 -1.878 1.00 1.60 H new ATOM 0 HG1 THR A 116 15.544 2.737 -3.295 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.433 4.992 -1.045 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.813 6.322 -2.165 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.829 4.946 -2.718 1.00 1.81 H new ATOM 1810 N GLY A 117 17.547 2.966 -4.743 1.00 2.26 N ATOM 1811 CA GLY A 117 18.804 2.289 -5.172 1.00 3.23 C ATOM 1812 C GLY A 117 18.461 1.052 -6.012 1.00 3.72 C ATOM 1813 O GLY A 117 17.323 0.627 -6.046 1.00 3.64 O ATOM 0 H GLY A 117 16.714 2.378 -4.743 1.00 2.26 H new ATOM 0 HA2 GLY A 117 19.419 2.976 -5.753 1.00 3.23 H new ATOM 0 HA3 GLY A 117 19.388 1.998 -4.299 1.00 3.23 H new ATOM 1817 N PRO A 118 19.460 0.511 -6.669 1.00 4.60 N ATOM 1818 CA PRO A 118 19.246 -0.690 -7.515 1.00 5.37 C ATOM 1819 C PRO A 118 19.030 -1.928 -6.643 1.00 5.55 C ATOM 1820 O PRO A 118 18.385 -2.878 -7.043 1.00 5.89 O ATOM 1821 CB PRO A 118 20.545 -0.808 -8.308 1.00 6.27 C ATOM 1822 CG PRO A 118 21.575 -0.118 -7.469 1.00 6.17 C ATOM 1823 CD PRO A 118 20.862 0.955 -6.688 1.00 5.22 C ATOM 0 HA PRO A 118 18.367 -0.610 -8.154 1.00 5.37 H new ATOM 0 HB2 PRO A 118 20.810 -1.851 -8.479 1.00 6.27 H new ATOM 0 HB3 PRO A 118 20.454 -0.338 -9.287 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.061 -0.825 -6.797 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.355 0.315 -8.095 1.00 6.17 H new ATOM 0 HD2 PRO A 118 21.265 1.048 -5.679 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.965 1.930 -7.164 1.00 5.22 H new ATOM 1831 N ALA A 119 19.565 -1.926 -5.453 1.00 5.74 N ATOM 1832 CA ALA A 119 19.392 -3.103 -4.556 1.00 6.37 C ATOM 1833 C ALA A 119 19.980 -2.805 -3.174 1.00 7.12 C ATOM 1834 O ALA A 119 20.409 -1.702 -2.896 1.00 7.52 O ATOM 1835 CB ALA A 119 20.163 -4.237 -5.232 1.00 6.62 C ATOM 0 H ALA A 119 20.114 -1.160 -5.063 1.00 5.74 H new ATOM 0 HA ALA A 119 18.342 -3.357 -4.408 1.00 6.37 H new ATOM 0 HB1 ALA A 119 20.083 -5.142 -4.629 1.00 6.62 H new ATOM 0 HB2 ALA A 119 19.745 -4.422 -6.221 1.00 6.62 H new ATOM 0 HB3 ALA A 119 21.212 -3.957 -5.328 1.00 6.62 H new ATOM 1841 N ALA A 120 20.003 -3.778 -2.304 1.00 7.64 N ATOM 1842 CA ALA A 120 20.565 -3.546 -0.943 1.00 8.64 C ATOM 1843 C ALA A 120 22.095 -3.537 -0.995 1.00 9.09 C ATOM 1844 O ALA A 120 22.692 -2.829 -0.201 1.00 9.37 O ATOM 1845 CB ALA A 120 20.064 -4.722 -0.103 1.00 9.17 C ATOM 1846 OXT ALA A 120 22.643 -4.239 -1.830 1.00 9.38 O ATOM 0 H ALA A 120 19.657 -4.722 -2.477 1.00 7.64 H new ATOM 0 HA ALA A 120 20.257 -2.587 -0.527 1.00 8.64 H new ATOM 0 HB1 ALA A 120 20.436 -4.625 0.917 1.00 9.17 H new ATOM 0 HB2 ALA A 120 18.974 -4.724 -0.093 1.00 9.17 H new ATOM 0 HB3 ALA A 120 20.425 -5.656 -0.533 1.00 9.17 H new TER 1852 ALA A 120